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Benzoic acid, 2-[(3-hydroxy-1-oxo-2-propenyl)amino]-
TL;DR: Benzoic acid, 2-[(3-hydroxy-1-oxo-2-propenyl)amino]- (CAS 670259-53-7) is a chemical compound with molecular formula C10H9NO4 and molecular weight 207.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-hydroxyprop-2-enoylamino)benzoic acid
Also Known As: BENZOIC ACID, 2-[(3-HYDROXY-1-OXO-2-PROPENYL)AMINO]-, Benzoic acid, 2-[(3-hydroxy-1-oxo-2-propenyl)amino]- (9CI)
| Molecular Formula | C10H9NO4 |
|---|---|
| Molecular Weight | 207.05 g/mol |
| LogP | 1.395 |
| Topological Polar Surface Area | 86.63 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 207.05316 |
| Heavy Atoms | 15 |
| Complexity | 411.63834 |
Chemical Identifiers
| CAS Number | 670259-53-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)NC(=O)C=CO |
Product Overview
Benzoic acid, 2-[(3-hydroxy-1-oxo-2-propenyl)amino]- (CAS 670259-53-7), with molecular formula C10H9NO4 and molecular weight 207.05 g/mol. IUPAC: 2-(3-hydroxyprop-2-enoylamino)benzoic acid.
Chemical Property Profile of Benzoic acid, 2-[(3-hydroxy-1-oxo-2-propenyl)amino]-
Property Insights of Benzoic acid, 2-[(3-hydroxy-1-oxo-2-propenyl)amino]-
The XLogP value of 1.395 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 2-[(3-hydroxy-1-oxo-2-propenyl)amino]-. The TPSA of 86.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2-[(3-hydroxy-1-oxo-2-propenyl)amino]-. Following Lipinski's Rule of Five, Benzoic acid, 2-[(3-hydroxy-1-oxo-2-propenyl)amino]- has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid, 2-[(3-hydroxy-1-oxo-2-propenyl)amino]-?
The CAS number of Benzoic acid, 2-[(3-hydroxy-1-oxo-2-propenyl)amino]- is 670259-53-7.
What is the molecular formula of Benzoic acid, 2-[(3-hydroxy-1-oxo-2-propenyl)amino]-?
The molecular formula of Benzoic acid, 2-[(3-hydroxy-1-oxo-2-propenyl)amino]- is C10H9NO4.
What is the molecular weight of Benzoic acid, 2-[(3-hydroxy-1-oxo-2-propenyl)amino]-?
The molecular weight of Benzoic acid, 2-[(3-hydroxy-1-oxo-2-propenyl)amino]- is 207.05 g/mol.
Where can I buy Benzoic acid, 2-[(3-hydroxy-1-oxo-2-propenyl)amino]-?
You can request a quote for Benzoic acid, 2-[(3-hydroxy-1-oxo-2-propenyl)amino]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-[(3-hydroxy-1-oxo-2-propenyl)amino]-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-[(3-hydroxy-1-oxo-2-propenyl)amino]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.