1-Chloro-2-naphthyl 1-azepanecarboxylate
TL;DR: 1-Chloro-2-naphthyl 1-azepanecarboxylate (CAS 825607-58-7) is a chemical compound with molecular formula C17H18ClNO2 and molecular weight 303.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-chloronaphthalen-2-yl) azepane-1-carboxylate
Also Known As: 1-chloro-2-naphthyl 1-azepanecarboxylate, (1-chloronaphthalen-2-yl) azepane-1-carboxylate, 1-chloro-2-naphthyl azaperhydroepinecarboxylate, AP-124/43238004, (1-chloranylnaphthalen-2-yl) azepane-1-carboxylate
| Molecular Formula | C17H18ClNO2 |
|---|---|
| Molecular Weight | 303.10 g/mol |
| LogP | 4.868 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 303.1026 |
| Heavy Atoms | 21 |
| Complexity | 648.2802 |
Chemical Identifiers
| CAS Number | 825607-58-7 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)OC2=C(C3=CC=CC=C3C=C2)Cl |
Product Overview
1-Chloro-2-naphthyl 1-azepanecarboxylate (CAS 825607-58-7), with molecular formula C17H18ClNO2 and molecular weight 303.10 g/mol. IUPAC: (1-chloronaphthalen-2-yl) azepane-1-carboxylate.
Chemical Property Profile of 1-Chloro-2-naphthyl 1-azepanecarboxylate
Property Insights of 1-Chloro-2-naphthyl 1-azepanecarboxylate
The XLogP value of 4.868 indicates that 1-Chloro-2-naphthyl 1-azepanecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, 1-Chloro-2-naphthyl 1-azepanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-2-naphthyl 1-azepanecarboxylate has 0 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 1-Chloro-2-naphthyl 1-azepanecarboxylate?
The CAS number of 1-Chloro-2-naphthyl 1-azepanecarboxylate is 825607-58-7.
What is the molecular formula of 1-Chloro-2-naphthyl 1-azepanecarboxylate?
The molecular formula of 1-Chloro-2-naphthyl 1-azepanecarboxylate is C17H18ClNO2.
What is the molecular weight of 1-Chloro-2-naphthyl 1-azepanecarboxylate?
The molecular weight of 1-Chloro-2-naphthyl 1-azepanecarboxylate is 303.10 g/mol.
Where can I buy 1-Chloro-2-naphthyl 1-azepanecarboxylate?
You can request a quote for 1-Chloro-2-naphthyl 1-azepanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-2-naphthyl 1-azepanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-2-naphthyl 1-azepanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.