AI 3-35770
TL;DR: AI 3-35770 (CAS 52736-62-6) is a chemical compound with molecular formula C14H25NO and molecular weight 223.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azepan-1-yl-(2-methylcyclohexyl)methanone
Also Known As: ENT 35770, AI3-35770, AI 3-35770, azepan-1-yl-(2-methylcyclohexyl)methanone, Hexahydro-1-((2-methylcyclohexyl)carbonyl)-1H-azepine
| Molecular Formula | C14H25NO |
|---|---|
| Molecular Weight | 223.19 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 223.19362 |
| Heavy Atoms | 16 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 52736-62-6 |
|---|---|
| SMILES | CC1CCCCC1C(=O)N2CCCCCC2 |
| InChIKey | CJLSOGGQZIXSMO-UHFFFAOYSA-N |
Product Overview
AI 3-35770 (CAS 52736-62-6), with molecular formula C14H25NO and molecular weight 223.19 g/mol. IUPAC: azepan-1-yl-(2-methylcyclohexyl)methanone.
Chemical Property Profile of AI 3-35770
Property Insights of AI 3-35770
The XLogP value of 3.4 indicates that AI 3-35770 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.3 Ų, AI 3-35770 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AI 3-35770 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 AI 3-35770?
The CAS number of AI 3-35770 is 52736-62-6.
What is the molecular formula of AI 3-35770?
The molecular formula of AI 3-35770 is C14H25NO.
What is the molecular weight of AI 3-35770?
The molecular weight of AI 3-35770 is 223.19 g/mol.
Where can I buy AI 3-35770?
You can request a quote for AI 3-35770 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AI 3-35770?
Yes, KEHONG BIO provides custom synthesis services for AI 3-35770 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.