Pseudobaptigenin
Also known as Psi-baptigenin, 3-(1,3-benzodioxol-5-yl)-7-hydroxychromen-4-one, 4H-1-Benzopyran-4-one, 3-(1,3-benzodioxol-5-yl)-7-hydroxy-
Key facts
What buyers check first
- CAS number
- 90-29-9
- Formula
- C16H10O5
- Molar mass
- 282.25 g/mol
- HS code
- 293299
- Category
- Antibiotics and anti-infectives
What is Pseudobaptigenin?
Plain description, key identifiers and synonyms
Pseudobaptigenin is a member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone and in which the phenyl group at position 3 is replaced by a 1,3-benzodioxol-5-yl group. It has a role as an antiprotozoal drug and a plant metabolite. It is a member of benzodioxoles and a member of 7-hydroxyisoflavones. It is a conjugate acid of a pseudobaptigenin(1-).
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 3-(1,3-benzodioxol-5-yl)-7-hydroxychromen-4-one
- CAS number
- 90-29-9 CAS number cross-checked
- Molecular formula
- C16H10O5
- UNII
- 78RRL4HLL9
- InChIKey
- KNJNBKINYHZUGC-UHFFFAOYSA-N
- InChI
- InChI=1S/C16H10O5/c17-10-2-3-11-14(6-10)19-7-12(16(11)18)9-1-4-13-15(5-9)21-8-20-13/h1-7,17H,8H2
- SMILES (canonical and isomeric)
- C1OC2=C(O1)C=C(C=C2)C3=COC4=C(C3=O)C=CC(=C4)O
Synonyms
- Psi-baptigenin
- 3-(1,3-benzodioxol-5-yl)-7-hydroxychromen-4-one
- 4H-1-Benzopyran-4-one, 3-(1,3-benzodioxol-5-yl)-7-hydroxy-
- pseudobaptogenin
- 3-(1,3-benzodioxol-5-yl)-7-hydroxy-4H-1-benzopyran-4-one
- 3-(benzo[d][1,3]dioxol-5-yl)-7-hydroxy-4H-chromen-4-one
- Pseudobabtigen
- 7-Hydroxy-3',4'-methylenedioxyisoflavone
- 7-Hydroxy-3',4'-(methylenedioxy)-Isoflavone
- Pseudobaptigenin(rg)
- 3-(1,3-Benzodioxol-5-yl)-7-hydroxy-4H-chromen-4-one
- 7-Hydroxy-3', 4'-methylenedioxyisoflavone
- 3-(2H-1,3-benzodioxol-5-yl)-7-hydroxy-4H-chromen-4-one
- 3-(1,3-benzodioxol-5-yl)-7-hydroxy-chromen-4-one
- pseudopaptigenin
- y-Baptigenin
- pseudobaptisin aglycone
- Prunetin(p)
- 7-hydroxy-3',4'-(methylenedioxy)isoflavone
- Isoflavone,4'-(methylenedioxy)-
- 3',4'-(Methylenedioxy)-7-hydroxyisoflavone
- 3-(1,3-dioxaindan-5-yl)-7-hydroxy-4H-chromen-4-one
- 4H-1-Benzopyran-4-one,3-benzodioxol-5-yl)-7-hydroxy-
- 3-(1,3-Benzodioxol-5-yl)-7-hydroxy-4H-1-benzopyran-4-one, 9CI
- 3-(2H-1,3-Benzodioxol-5-yl)-7-hydroxy-4H-1-benzopyran-4-one
Show all 26 synonymsShow fewer synonyms
- 3-(1,3-Benzodioxol-5-yl)-7-hydroxy-4H-1-benzopyran-4-one, ?-Baptigenin
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 | 282.25 g/molcalc.Computed value |
|---|---|
| Exact mass | 282.0528 Dacalc.Computed value |
| LogP (octanol/water) | 2.89calc.Computed value |
| Topological polar surface area | 68.9 Ųcalc.Computed value |
| Hydrogen bond donors | 1calc.Computed value |
| Hydrogen bond acceptors | 5calc.Computed value |
| Rotatable bonds | 1calc.Computed value |
| Heavy atoms | 21calc.Computed value |
| Rings | 4calc.Computed value |
| Aromatic rings | 3calc.Computed value |
| Fraction sp3 carbons | 0.06calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 0calc.Computed value |
| Lipinski rule of five | Passes (0 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
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.
Pseudobaptigenin 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 Pseudobaptigenin can send you quotes. Your contact details stay private until you accept a quote.
Pseudobaptigenin 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
Roles
- antiinfective agent
- antimicrobial agent
- antimicrobial drug
- antiparasitic agent
- antiprotozoal drug
- eukaryotic metabolite
- metabolite
- pharmaceutical
- plant metabolite
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 Pseudobaptigenin is traded under.
Heterocyclic compounds with oxygen hetero-atom(s) only, other
- China28.9%
- Switzerland * partner reported12.7%
- Germany7.8%
- United States49.7%
- China11.9%
- India * partner reported3.3%
* Partner reported figures, a lower bound.
The HS code shown for Pseudobaptigenin 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
Similar structures
Nearest neighbours by Morgan fingerprint Tanimoto similarity
Same formula isomers
Different compounds that share this molecular formula
![3-(Benzo[d][1,3]dioxol-5-yl)-7-hydroxy-2H-chromen-2-one chemical structure, C16H10O5, CAS 70273-50-6](/s/XPEKQXHLNPUFLR-UHFFFAOYSA-N.svg)
Frequently asked questions
Quick answers about Pseudobaptigenin, based on the data on this page
What is Pseudobaptigenin?
What is the CAS number of Pseudobaptigenin?
What is the molecular formula and weight of Pseudobaptigenin?
What is Pseudobaptigenin used for?
Is Pseudobaptigenin hazardous?
What is the HS code of Pseudobaptigenin?
Where can I buy Pseudobaptigenin?
What is the price of Pseudobaptigenin?
Guides for buyers
Practical guides that help when you source, ship or handle Pseudobaptigenin
- 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
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