1-Octylazepin-2-one
TL;DR: 1-Octylazepin-2-one (CAS 59227-88-2) is a chemical compound with molecular formula C14H27NO and molecular weight 225.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-octylazepan-2-one
Also Known As: 1-octylazepan-2-one, 1-octylazepin-2-one, n-octyl caprolactam, N-OCTYLCAPROLACTAM, 1-octyl-azepan-2-one
| Molecular Formula | C14H27NO |
|---|---|
| Molecular Weight | 225.21 g/mol |
| LogP | 3.7495 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 225.20926 |
| Heavy Atoms | 16 |
| Complexity | 191.17436 |
Chemical Identifiers
| CAS Number | 59227-88-2 |
|---|---|
| SMILES | CCCCCCCCN1CCCCCC1=O |
Product Overview
1-Octylazepin-2-one (CAS 59227-88-2), with molecular formula C14H27NO and molecular weight 225.21 g/mol. IUPAC: 1-octylazepan-2-one.
Chemical Property Profile of 1-Octylazepin-2-one
Property Insights of 1-Octylazepin-2-one
The XLogP value of 3.7495 indicates that 1-Octylazepin-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, 1-Octylazepin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Octylazepin-2-one 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 1-Octylazepin-2-one?
The CAS number of 1-Octylazepin-2-one is 59227-88-2.
What is the molecular formula of 1-Octylazepin-2-one?
The molecular formula of 1-Octylazepin-2-one is C14H27NO.
What is the molecular weight of 1-Octylazepin-2-one?
The molecular weight of 1-Octylazepin-2-one is 225.21 g/mol.
Where can I buy 1-Octylazepin-2-one?
You can request a quote for 1-Octylazepin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Octylazepin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Octylazepin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.