6-氯-4-氧代-4H-1-苯并吡喃-2-甲酸
TL;DR: 6-氯-4-氧代-4H-1-苯并吡喃-2-甲酸 (CAS 5006-45-1) is a chemical compound with molecular formula C10H5ClO4 and molecular weight 223.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-氯-4-氧代-4H-1-苯并吡喃-2-甲酸
6-chloro-4-oxochromene-2-carboxylic acid
Also Known As: 6-Chlorochromone-2-carboxylic acid, 6-chloro-4-oxo-4H-chromene-2-carboxylic acid, 6-chloro-4-oxochromene-2-carboxylic acid, 6-Chloro-4-oxo-4H-1-benzopyran-2-carboxylic acid, Acide chloro-6 chromone carboxylique-2
| Molecular Formula | C10H5ClO4 |
|---|---|
| Molecular Weight | 223.99 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 223.98764 |
| Heavy Atoms | 15 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 5006-45-1 |
|---|---|
| SMILES | C1=CC2=C(C=C1Cl)C(=O)C=C(O2)C(=O)O |
| InChIKey | HALQFUWRVXLBIS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-氯-4-氧代-4H-1-苯并吡喃-2-甲酸 (CAS 5006-45-1), with molecular formula C10H5ClO4 and molecular weight 223.99 g/mol. IUPAC: 6-chloro-4-oxochromene-2-carboxylic acid.
Chemical Property Profile of 6-氯-4-氧代-4H-1-苯并吡喃-2-甲酸
Property Insights of 6-氯-4-氧代-4H-1-苯并吡喃-2-甲酸
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-氯-4-氧代-4H-1-苯并吡喃-2-甲酸. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-氯-4-氧代-4H-1-苯并吡喃-2-甲酸. Following Lipinski's Rule of Five, 6-氯-4-氧代-4H-1-苯并吡喃-2-甲酸 has 1 hydrogen bond donor(s) and 4 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 6-氯-4-氧代-4H-1-苯并吡喃-2-甲酸?
The CAS number of 6-氯-4-氧代-4H-1-苯并吡喃-2-甲酸 is 5006-45-1.
What is the molecular formula of 6-氯-4-氧代-4H-1-苯并吡喃-2-甲酸?
The molecular formula of 6-氯-4-氧代-4H-1-苯并吡喃-2-甲酸 is C10H5ClO4.
What is the molecular weight of 6-氯-4-氧代-4H-1-苯并吡喃-2-甲酸?
The molecular weight of 6-氯-4-氧代-4H-1-苯并吡喃-2-甲酸 is 223.99 g/mol.
Where can I buy 6-氯-4-氧代-4H-1-苯并吡喃-2-甲酸?
You can request a quote for 6-氯-4-氧代-4H-1-苯并吡喃-2-甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-氯-4-氧代-4H-1-苯并吡喃-2-甲酸?
Yes, KEHONG BIO provides custom synthesis services for 6-氯-4-氧代-4H-1-苯并吡喃-2-甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.