4-甲基己内酰胺
TL;DR: 4-甲基己内酰胺 (CAS 3623-05-0) is a chemical compound with molecular formula C7H13NO and molecular weight 127.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-甲基己内酰胺
4-methylazepan-2-one
Also Known As: 4-Methylcaprolactam, 4-methylazepan-2-one, beta-Methylcaprolactam, 3-Methylcaprolactam, alpha-Methylhexanonisoxim
| Molecular Formula | C7H13NO |
|---|---|
| Molecular Weight | 127.10 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 127.09972 |
| Heavy Atoms | 9 |
| Complexity | 111.0 |
Chemical Identifiers
| CAS Number | 3623-05-0 |
|---|---|
| SMILES | CC1CCCNC(=O)C1 |
| InChIKey | SUXWXEJDQZBDNL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-甲基己内酰胺 (CAS 3623-05-0), with molecular formula C7H13NO and molecular weight 127.10 g/mol. IUPAC: 4-methylazepan-2-one.
Chemical Property Profile of 4-甲基己内酰胺
Property Insights of 4-甲基己内酰胺
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-甲基己内酰胺. With a topological polar surface area (TPSA) of 29.1 Ų, 4-甲基己内酰胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-甲基己内酰胺 has 1 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 4-甲基己内酰胺?
The CAS number of 4-甲基己内酰胺 is 3623-05-0.
What is the molecular formula of 4-甲基己内酰胺?
The molecular formula of 4-甲基己内酰胺 is C7H13NO.
What is the molecular weight of 4-甲基己内酰胺?
The molecular weight of 4-甲基己内酰胺 is 127.10 g/mol.
Where can I buy 4-甲基己内酰胺?
You can request a quote for 4-甲基己内酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-甲基己内酰胺?
Yes, KEHONG BIO provides custom synthesis services for 4-甲基己内酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.