Hexamide
TL;DR: Hexamide (CAS 3653-39-2) is a chemical compound with molecular formula C13H17NO and molecular weight 203.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azepan-1-yl(phenyl)methanone
Also Known As: Hexamide, Benzimine, Benzimin, Hexamid, 1-Benzoylhexahydro-1H-azepine
| Molecular Formula | C13H17NO |
|---|---|
| Molecular Weight | 203.13 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 203.13101 |
| Heavy Atoms | 15 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 3653-39-2 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)C2=CC=CC=C2 |
| InChIKey | KZLCCMBSJDXNDG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexamide (CAS 3653-39-2), with molecular formula C13H17NO and molecular weight 203.13 g/mol. IUPAC: azepan-1-yl(phenyl)methanone.
Chemical Property Profile of Hexamide
Property Insights of Hexamide
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexamide. With a topological polar surface area (TPSA) of 20.3 Ų, Hexamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexamide has 0 hydrogen bond donor(s) and 1 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 Hexamide?
The CAS number of Hexamide is 3653-39-2.
What is the molecular formula of Hexamide?
The molecular formula of Hexamide is C13H17NO.
What is the molecular weight of Hexamide?
The molecular weight of Hexamide is 203.13 g/mol.
Where can I buy Hexamide?
You can request a quote for Hexamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexamide?
Yes, KEHONG BIO provides custom synthesis services for Hexamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.