6-苯甲酰氨基-2-氯己酸
TL;DR: 6-苯甲酰氨基-2-氯己酸 (CAS 5456-26-8) is a chemical compound with molecular formula C13H16ClNO3 and molecular weight 269.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-苯甲酰氨基-2-氯己酸
6-benzamido-2-chlorohexanoic acid
Also Known As: 6-benzamido-2-chlorohexanoic acid, 6-benzamido-2-chloro-hexanoic acid, 6-(benzoylamino)-2-chlorohexanoic acid, S04-0139
| Molecular Formula | C13H16ClNO3 |
|---|---|
| Molecular Weight | 269.08 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 269.08188 |
| Heavy Atoms | 18 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 5456-26-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NCCCCC(C(=O)O)Cl |
| InChIKey | WMOJTMKMDUWHEH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-苯甲酰氨基-2-氯己酸 (CAS 5456-26-8), with molecular formula C13H16ClNO3 and molecular weight 269.08 g/mol. IUPAC: 6-benzamido-2-chlorohexanoic acid.
Chemical Property Profile of 6-苯甲酰氨基-2-氯己酸
Property Insights of 6-苯甲酰氨基-2-氯己酸
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-苯甲酰氨基-2-氯己酸. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-苯甲酰氨基-2-氯己酸. Following Lipinski's Rule of Five, 6-苯甲酰氨基-2-氯己酸 has 2 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 6-苯甲酰氨基-2-氯己酸?
The CAS number of 6-苯甲酰氨基-2-氯己酸 is 5456-26-8.
What is the molecular formula of 6-苯甲酰氨基-2-氯己酸?
The molecular formula of 6-苯甲酰氨基-2-氯己酸 is C13H16ClNO3.
What is the molecular weight of 6-苯甲酰氨基-2-氯己酸?
The molecular weight of 6-苯甲酰氨基-2-氯己酸 is 269.08 g/mol.
Where can I buy 6-苯甲酰氨基-2-氯己酸?
You can request a quote for 6-苯甲酰氨基-2-氯己酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-苯甲酰氨基-2-氯己酸?
Yes, KEHONG BIO provides custom synthesis services for 6-苯甲酰氨基-2-氯己酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.