Tannase
Also known as tannin acylhydrolase
Key facts
What buyers check first
- CAS number
- 9025-71-2
- Formula
- C52H52F12N2O5
- Molar mass
- 1,012.97 g/mol
- EC number
- 232-804-4
- HS code
- 292429
- Category
- Amines and amides
What is Tannase?
Plain description, key identifiers and synonyms
Tannase is a chemical substance with the molecular formula C52H52F12N2O5 and a molar mass of 1,012.97 g/mol. Its CAS registry number is 9025-71-2. The IUPAC name is (E)-4-[1-[2-[3,5-bis(trifluoromethyl)phenyl]ethylamino]-2,3-dihydro-1H-inden-5-yl]-1-hydroxybut-3-en-2-one, tert-butyl N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]carbamate.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- (E)-4-[1-[2-[3,5-bis(trifluoromethyl)phenyl]ethylamino]-2,3-dihydro-1H-inden-5-yl]-1-hydroxybut-3-en-2-one, tert-butyl N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]carbamate
- CAS number
- 9025-71-2
- EC number
- 232-804-4
- Molecular formula
- C52H52F12N2O5
- InChIKey
- TVHUJHPQINEZAF-LDWVDBOMSA-N
- InChI
- InChI=1S/C29H31F6NO3.C23H21F6NO2/c1-5-23(37)9-6-18-7-10-24-20(14-18)8-11-25(24)36(26(38)39-27(2,3)4)13-12-19-15-21(28(30,31)32)17-22(16-19)29(33,34)35;24-22(25,26)17-10-15(11-18(12-17)23(27,28)29)7-8-30-21-6-3-16-9-14(2-5-20(16)21)1-4-19(32)13-31/h6-7,9-10,14-17,25H,5,8,11-13H2,1-4H3;1-2,4-5,9-12,21,30-31H,3,6-8,13H2/b9-6+;4-1+
- Canonical SMILES
- CCC(=O)C=Cc1ccc2c(c1)CCC2N(CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)OC(C)(C)C.O=C(C=Cc1ccc2c(c1)CCC2NCCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CO
- Isomeric SMILES
- CCC(=O)/C=C/C1=CC2=C(C=C1)C(CC2)N(CCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)OC(C)(C)C.C1CC2=C(C1NCCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C=CC(=C2)/C=C/C(=O)CO
Synonyms
- tannin acylhydrolase
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 | 1,012.97 g/molcalc.Computed value |
|---|---|
| Exact mass | 1,012.3685 Dacalc.Computed value |
| LogP (octanol/water) | 13.3calc.Computed value |
| Topological polar surface area | 95.94 Ųcalc.Computed value |
| Hydrogen bond donors | 2calc.Computed value |
| Hydrogen bond acceptors | 6calc.Computed value |
| Rotatable bonds | 14calc.Computed value |
| Heavy atoms | 71calc.Computed value |
| Rings | 6calc.Computed value |
| Aromatic rings | 4calc.Computed value |
| Fraction sp3 carbons | 0.4calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 2calc.Computed value |
| Components | 2calc.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
Safety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H334May cause allergy or asthma symptoms or breathing difficulties if inhaled.
Precautionary statements (8)
- P233Keep container tightly closed.
- P260Do not breathe dust, fume, gas, mist, vapours or spray.
- P271Use only outdoors or in a well-ventilated area.
- P284In case of inadequate ventilation wear respiratory protection.
- P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
- P342 + P316If experiencing respiratory symptoms: Get emergency medical help immediately.
- P403Store in a well-ventilated place.
- P501Dispose of contents and container in accordance with local regulations.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Full safety data and first aidTannase suppliers
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Tannase 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 Tannase is traded under.
Cyclic amides (including cyclic carbamates) and their derivatives, salts thereof, other
- China32.3%
- Switzerland * partner reported13.6%
- Norway * partner reported12.8%
- United States15.9%
- Ireland15.8%
- Germany11.9%
* Partner reported figures, a lower bound.
The HS code shown for Tannase is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Tannase, based on the data on this page
What is Tannase?
What is the CAS number of Tannase?
What is the molecular formula and weight of Tannase?
Is Tannase hazardous?
What is the HS code of Tannase?
Where can I buy Tannase?
What is the price of Tannase?
Guides for buyers
Practical guides that help when you source, ship or handle Tannase
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.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
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