BFCAs-1
Also known as tetra-tert-Butyl 2,2',2'',2'''-(1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayl)tetraacetate, Gadobutrol Impurity 103, 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, tetrakis(1,1-diMethylethyl) ester
Key facts
What buyers check first
- CAS number
- 585531-74-4
- Formula
- C32H60N4O8
- Molar mass
- 628.85 g/mol
- HS code
- 293399
- Category
- Impurities and reference standards
What is BFCAs-1?
Plain description, key identifiers and synonyms
BFCAs-1 is a chemical substance with the molecular formula C32H60N4O8 and a molar mass of 628.85 g/mol. Its CAS registry number is 585531-74-4. The IUPAC name is tert-butyl 2-[4,7,10-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- tert-butyl 2-[4,7,10-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
- CAS number
- 585531-74-4
- Molecular formula
- C32H60N4O8
- UNII
- TK2QAF2ZJE
- MDL number
- MFCD28900669
- InChIKey
- DWYNJWTYDHZUQY-UHFFFAOYSA-N
- InChI
- InChI=1S/C32H60N4O8/c1-29(2,3)41-25(37)21-33-13-15-34(22-26(38)42-30(4,5)6)17-19-36(24-28(40)44-32(10,11)12)20-18-35(16-14-33)23-27(39)43-31(7,8)9/h13-24H2,1-12H3
- SMILES (canonical and isomeric)
- CC(C)(C)OC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C
Synonyms
- tetra-tert-Butyl 2,2',2'',2'''-(1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayl)tetraacetate
- Gadobutrol Impurity 103
- 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, tetrakis(1,1-diMethylethyl) ester
- tert-butyl 2-[4,7,10-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
- tert-butyl 2-{4,7,10-tris[2-(tert-butoxy)-2-oxoethyl]-1,4,7,10-tetraazacyclododecan-1-yl}acetate
- tert-Butyl 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid
- 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, 1,4,7,10-tetrakis(1,1-dimethylethyl) ester
- Gadobutrol Impurity N50
- BFCAs-1?
- Cyclen Derivatives 6Zatetol impurity4
- Tetra-tert-Butyl 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid
- 1,4,7,10-Tetrakis(1,1-dimethylethyl) 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetate
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 628.85 g/molcalc.Computed value |
|---|---|
| Exact mass | 628.4411 Dacalc.Computed value |
| LogP (octanol/water) | 2.57calc.Computed value |
| Topological polar surface area | 118.2 Ųcalc.Computed value |
| Hydrogen bond donors | 0calc.Computed value |
| Hydrogen bond acceptors | 12calc.Computed value |
| Rotatable bonds | 8calc.Computed value |
| Heavy atoms | 44calc.Computed value |
| Rings | 1calc.Computed value |
| Aromatic rings | 0calc.Computed value |
| Fraction sp3 carbons | 0.88calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 0calc.Computed value |
| Lipinski rule of five | Fails (2 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
C1CNCCNCCNCCN1
1 ring, 12 atoms, the 1,4,7,10-Tetraazacyclododecane ring system.
237 other chemicals share this scaffoldSafety and hazards
GHS classification summary, not a safety data sheet
No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
BFCAs-1 suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
Post one free request and suppliers who make or trade BFCAs-1 can send you quotes. Your contact details stay private until you accept a quote.
BFCAs-1 price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.
Regulatory status
Inventories, regulations and trade controls that list this substance
No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code BFCAs-1 is traded under.
Heterocyclic compounds with nitrogen hetero-atom(s) only, other
- Slovenia31.7%
- Italy24.2%
- United States5.0%
* Partner reported figures, a lower bound.
The HS code shown for BFCAs-1 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Related chemicals
Parent and salt forms, stereoisomers, similar structures and isomers
Salt and hydrate forms
Records that share this compound as their parent
Similar structures
Nearest neighbours by Morgan fingerprint Tanimoto similarity
Frequently asked questions
Quick answers about BFCAs-1, based on the data on this page
What is BFCAs-1?
What is the CAS number of BFCAs-1?
What is the molecular formula and weight of BFCAs-1?
Is BFCAs-1 hazardous?
What is the HS code of BFCAs-1?
Where can I buy BFCAs-1?
What is the price of BFCAs-1?
Guides for buyers
Practical guides that help when you source, ship or handle BFCAs-1
- Article, QualityPharma grades explained: IP vs BP vs USP vs EPWhat the Indian, British, US and European pharmacopoeias are, how their monographs differ, what multi grade claims mean and why a grade alone does not make a product fit for medicines.Read
- Article, SourcingHow to write an RFQ that gets fast and accurate quotesWhat suppliers need to quote quickly and comparably: exact product identity, quantity and packing, delivery terms, documents, samples and payment, with a ready to use template.Read
- Guide, Trade and logisticsHS codes for chemicals and why they matterHow the Harmonized System classifies chemicals, the chapters that matter, the rules for chemically defined compounds and mixtures, and practical steps to find the right code.Read
Get quotes for BFCAs-1
Embed this structure on your websiteShow code
Paste this code into your page to show the 2D structure of BFCAs-1 with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.
<iframe src="https://www.compoundlist.com/embed/structure/bfcas-1-585531-74-4" title="BFCAs-1 structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>Explore more in Impurities and reference standards or HS code 293399