7-Methylcaprolactam
TL;DR: 7-Methylcaprolactam (CAS 1985-48-4) is a chemical compound with molecular formula CC1CCCCC(=O)N1 and molecular weight 127.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methylazepan-2-one
Also Known As: 7-methylazepan-2-one, 7-Methylcaprolactam, 2H-Azepin-2-one, hexahydro-7-methyl-, 6-Methyl-6-caprolactam, .epsilon.-Methylcaprolactam
| Molecular Formula | CC1CCCCC(=O)N1 |
|---|---|
| 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 | 1985-48-4 |
|---|---|
| SMILES | CC1CCCCC(=O)N1 |
| InChIKey | JAWSTIJAWZBKOU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Methylcaprolactam (CAS 1985-48-4), with molecular formula CC1CCCCC(=O)N1 and molecular weight 127.10 g/mol. IUPAC: 7-methylazepan-2-one.
Chemical Property Profile of 7-Methylcaprolactam
Property Insights of 7-Methylcaprolactam
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Methylcaprolactam. With a topological polar surface area (TPSA) of 29.1 Ų, 7-Methylcaprolactam exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Methylcaprolactam 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 7-Methylcaprolactam?
The CAS number of 7-Methylcaprolactam is 1985-48-4.
What is the molecular formula of 7-Methylcaprolactam?
The molecular formula of 7-Methylcaprolactam is CC1CCCCC(=O)N1.
What is the molecular weight of 7-Methylcaprolactam?
The molecular weight of 7-Methylcaprolactam is 127.10 g/mol.
Where can I buy 7-Methylcaprolactam?
You can request a quote for 7-Methylcaprolactam directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Methylcaprolactam?
Yes, KEHONG BIO provides custom synthesis services for 7-Methylcaprolactam and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.