2-(1-Azepanylcarbonyl)aniline
TL;DR: 2-(1-Azepanylcarbonyl)aniline (CAS 40609-76-5) is a chemical compound with molecular formula C13H18N2O and molecular weight 218.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-aminophenyl)-(azepan-1-yl)methanone
Also Known As: 2-(1-azepanylcarbonyl)aniline, 2-(azepane-1-carbonyl)aniline, (2-aminophenyl)(azepan-1-yl)methanone, (2-AMINOPHENYL)(1-AZEPANYL)METHANONE, (2-aminophenyl)-(azepan-1-yl)methanone
| Molecular Formula | C13H18N2O |
|---|---|
| Molecular Weight | 218.14 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 46.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 218.1419 |
| Heavy Atoms | 16 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 40609-76-5 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)C2=CC=CC=C2N |
| InChIKey | IYVSAXXHASZZBO-UHFFFAOYSA-N |
Product Overview
2-(1-Azepanylcarbonyl)aniline (CAS 40609-76-5), with molecular formula C13H18N2O and molecular weight 218.14 g/mol. IUPAC: (2-aminophenyl)-(azepan-1-yl)methanone.
Chemical Property Profile of 2-(1-Azepanylcarbonyl)aniline
Property Insights of 2-(1-Azepanylcarbonyl)aniline
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-Azepanylcarbonyl)aniline. With a topological polar surface area (TPSA) of 46.3 Ų, 2-(1-Azepanylcarbonyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-Azepanylcarbonyl)aniline has 1 hydrogen bond donor(s) and 2 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 2-(1-Azepanylcarbonyl)aniline?
The CAS number of 2-(1-Azepanylcarbonyl)aniline is 40609-76-5.
What is the molecular formula of 2-(1-Azepanylcarbonyl)aniline?
The molecular formula of 2-(1-Azepanylcarbonyl)aniline is C13H18N2O.
What is the molecular weight of 2-(1-Azepanylcarbonyl)aniline?
The molecular weight of 2-(1-Azepanylcarbonyl)aniline is 218.14 g/mol.
Where can I buy 2-(1-Azepanylcarbonyl)aniline?
You can request a quote for 2-(1-Azepanylcarbonyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-Azepanylcarbonyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Azepanylcarbonyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.