Hexanoic acid, 6-(6-chloro-4-oxo-4H-1-benzopyran-2-carboxamido)-
TL;DR: Hexanoic acid, 6-(6-chloro-4-oxo-4H-1-benzopyran-2-carboxamido)- (CAS 27455-40-9) is a chemical compound with molecular formula C16H16ClNO5 and molecular weight 337.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(6-chloro-4-oxochromene-3-carbonyl)amino]hexanoic acid
Also Known As: 5-18-08-00317 (Beilstein Handbook Reference), HEXANOIC ACID, 6-(6-CHLORO-4-OXO-4H-1-BENZOPYRAN-2-CARBOXAMIDO)-, 6-(6-Chloro-4-oxo-4H-1-benzopyran-2-carboxamido)hexanoic acid, 6-[(6-chloro-4-oxochromene-3-carbonyl)amino]hexanoic acid, 6-(6-Chloro-4-oxo-4H-1-benzopyran-3-carboxamido)hexanoic acid
| Molecular Formula | C16H16ClNO5 |
|---|---|
| Molecular Weight | 337.07 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 337.0717 |
| Heavy Atoms | 23 |
| Complexity | 505.0 |
Chemical Identifiers
| CAS Number | 27455-40-9 |
|---|---|
| SMILES | C1=CC2=C(C=C1Cl)C(=O)C(=CO2)C(=O)NCCCCCC(=O)O |
| InChIKey | WVKSJNZDEOKELM-UHFFFAOYSA-N |
Product Overview
Hexanoic acid, 6-(6-chloro-4-oxo-4H-1-benzopyran-2-carboxamido)- (CAS 27455-40-9), with molecular formula C16H16ClNO5 and molecular weight 337.07 g/mol. IUPAC: 6-[(6-chloro-4-oxochromene-3-carbonyl)amino]hexanoic acid.
Chemical Property Profile of Hexanoic acid, 6-(6-chloro-4-oxo-4H-1-benzopyran-2-carboxamido)-
Property Insights of Hexanoic acid, 6-(6-chloro-4-oxo-4H-1-benzopyran-2-carboxamido)-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexanoic acid, 6-(6-chloro-4-oxo-4H-1-benzopyran-2-carboxamido)-. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Hexanoic acid, 6-(6-chloro-4-oxo-4H-1-benzopyran-2-carboxamido)-. Following Lipinski's Rule of Five, Hexanoic acid, 6-(6-chloro-4-oxo-4H-1-benzopyran-2-carboxamido)- has 2 hydrogen bond donor(s) and 5 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 Hexanoic acid, 6-(6-chloro-4-oxo-4H-1-benzopyran-2-carboxamido)-?
The CAS number of Hexanoic acid, 6-(6-chloro-4-oxo-4H-1-benzopyran-2-carboxamido)- is 27455-40-9.
What is the molecular formula of Hexanoic acid, 6-(6-chloro-4-oxo-4H-1-benzopyran-2-carboxamido)-?
The molecular formula of Hexanoic acid, 6-(6-chloro-4-oxo-4H-1-benzopyran-2-carboxamido)- is C16H16ClNO5.
What is the molecular weight of Hexanoic acid, 6-(6-chloro-4-oxo-4H-1-benzopyran-2-carboxamido)-?
The molecular weight of Hexanoic acid, 6-(6-chloro-4-oxo-4H-1-benzopyran-2-carboxamido)- is 337.07 g/mol.
Where can I buy Hexanoic acid, 6-(6-chloro-4-oxo-4H-1-benzopyran-2-carboxamido)-?
You can request a quote for Hexanoic acid, 6-(6-chloro-4-oxo-4H-1-benzopyran-2-carboxamido)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexanoic acid, 6-(6-chloro-4-oxo-4H-1-benzopyran-2-carboxamido)-?
Yes, KEHONG BIO provides custom synthesis services for Hexanoic acid, 6-(6-chloro-4-oxo-4H-1-benzopyran-2-carboxamido)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.