N'-Azepan-1-yl-N-(4-chlorophenyl)carbamimidic acid
TL;DR: N'-Azepan-1-yl-N-(4-chlorophenyl)carbamimidic acid (CAS 19102-31-9) is a chemical compound with molecular formula C13H18ClN3O and molecular weight 267.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(azepan-1-yl)-3-(4-chlorophenyl)urea
Also Known As: NCIOpen2_005620, 1-azepan-1-yl-3-(4-chlorophenyl)urea, 1-(azepan-1-yl)-3-(4-chlorophenyl)urea, N'-Azepan-1-yl-N-(4-chlorophenyl)carbamimidic acid, N'-(Azepan-1-yl)-N-(4-chlorophenyl)carbamimidic acid
| Molecular Formula | C13H18ClN3O |
|---|---|
| Molecular Weight | 267.11 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 44.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.11383 |
| Heavy Atoms | 18 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 19102-31-9 |
|---|---|
| SMILES | C1CCCN(CC1)NC(=O)NC2=CC=C(C=C2)Cl |
| InChIKey | KYLPHFRGUXSCOQ-UHFFFAOYSA-N |
Product Overview
N'-Azepan-1-yl-N-(4-chlorophenyl)carbamimidic acid (CAS 19102-31-9), with molecular formula C13H18ClN3O and molecular weight 267.11 g/mol. IUPAC: 1-(azepan-1-yl)-3-(4-chlorophenyl)urea.
Chemical Property Profile of N'-Azepan-1-yl-N-(4-chlorophenyl)carbamimidic acid
Property Insights of N'-Azepan-1-yl-N-(4-chlorophenyl)carbamimidic acid
The XLogP value of 3.0 indicates that N'-Azepan-1-yl-N-(4-chlorophenyl)carbamimidic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.4 Ų, N'-Azepan-1-yl-N-(4-chlorophenyl)carbamimidic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N'-Azepan-1-yl-N-(4-chlorophenyl)carbamimidic acid has 2 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 N'-Azepan-1-yl-N-(4-chlorophenyl)carbamimidic acid?
The CAS number of N'-Azepan-1-yl-N-(4-chlorophenyl)carbamimidic acid is 19102-31-9.
What is the molecular formula of N'-Azepan-1-yl-N-(4-chlorophenyl)carbamimidic acid?
The molecular formula of N'-Azepan-1-yl-N-(4-chlorophenyl)carbamimidic acid is C13H18ClN3O.
What is the molecular weight of N'-Azepan-1-yl-N-(4-chlorophenyl)carbamimidic acid?
The molecular weight of N'-Azepan-1-yl-N-(4-chlorophenyl)carbamimidic acid is 267.11 g/mol.
Where can I buy N'-Azepan-1-yl-N-(4-chlorophenyl)carbamimidic acid?
You can request a quote for N'-Azepan-1-yl-N-(4-chlorophenyl)carbamimidic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N'-Azepan-1-yl-N-(4-chlorophenyl)carbamimidic acid?
Yes, KEHONG BIO provides custom synthesis services for N'-Azepan-1-yl-N-(4-chlorophenyl)carbamimidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.