7-氯庚酸
TL;DR: 7-氯庚酸 (CAS 821-57-8) is a chemical compound with molecular formula C7H13ClO2 and molecular weight 164.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-氯庚酸
7-chloroheptanoic acid
Also Known As: 7-Chloroheptanoic acid, Chlorenanthic acid, HEPTANOIC ACID, 7-CHLORO-, Enantic acid, 7-chloro-, 7-chloro-enanticaci
| Molecular Formula | C7H13ClO2 |
|---|---|
| Molecular Weight | 164.06 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 164.06041 |
| Heavy Atoms | 10 |
| Complexity | 93.0 |
Chemical Identifiers
| CAS Number | 821-57-8 |
|---|---|
| SMILES | C(CCCCl)CCC(=O)O |
| InChIKey | IGNBKLCFKTYIRI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-氯庚酸 (CAS 821-57-8), with molecular formula C7H13ClO2 and molecular weight 164.06 g/mol. IUPAC: 7-chloroheptanoic acid.
Chemical Property Profile of 7-氯庚酸
Property Insights of 7-氯庚酸
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-氯庚酸. With a topological polar surface area (TPSA) of 37.3 Ų, 7-氯庚酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-氯庚酸 has 1 hydrogen bond donor(s) and 2 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 7-氯庚酸?
The CAS number of 7-氯庚酸 is 821-57-8.
What is the molecular formula of 7-氯庚酸?
The molecular formula of 7-氯庚酸 is C7H13ClO2.
What is the molecular weight of 7-氯庚酸?
The molecular weight of 7-氯庚酸 is 164.06 g/mol.
Where can I buy 7-氯庚酸?
You can request a quote for 7-氯庚酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-氯庚酸?
Yes, KEHONG BIO provides custom synthesis services for 7-氯庚酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.