1-(Azepan-1-yl)-3-(3,4-dichlorophenyl)urea
TL;DR: 1-(Azepan-1-yl)-3-(3,4-dichlorophenyl)urea (CAS 19102-34-2) is a chemical compound with molecular formula C13H17Cl2N3O and molecular weight 301.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(azepan-1-yl)-3-(3,4-dichlorophenyl)urea
Also Known As: 1-(azepan-1-yl)-3-(3,4-dichlorophenyl)urea, N-(Azepan-1-yl)-N'-(3,4-dichlorophenyl)urea, RefChem:226012
| Molecular Formula | C13H17Cl2N3O |
|---|---|
| Molecular Weight | 301.07 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 44.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 301.07486 |
| Heavy Atoms | 19 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 19102-34-2 |
|---|---|
| SMILES | C1CCCN(CC1)NC(=O)NC2=CC(=C(C=C2)Cl)Cl |
| InChIKey | VKVGZJHXHIVQDK-UHFFFAOYSA-N |
Product Overview
1-(Azepan-1-yl)-3-(3,4-dichlorophenyl)urea (CAS 19102-34-2), with molecular formula C13H17Cl2N3O and molecular weight 301.07 g/mol. IUPAC: 1-(azepan-1-yl)-3-(3,4-dichlorophenyl)urea.
Chemical Property Profile of 1-(Azepan-1-yl)-3-(3,4-dichlorophenyl)urea
Property Insights of 1-(Azepan-1-yl)-3-(3,4-dichlorophenyl)urea
The XLogP value of 4.4 indicates that 1-(Azepan-1-yl)-3-(3,4-dichlorophenyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.4 Ų, 1-(Azepan-1-yl)-3-(3,4-dichlorophenyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Azepan-1-yl)-3-(3,4-dichlorophenyl)urea 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 1-(Azepan-1-yl)-3-(3,4-dichlorophenyl)urea?
The CAS number of 1-(Azepan-1-yl)-3-(3,4-dichlorophenyl)urea is 19102-34-2.
What is the molecular formula of 1-(Azepan-1-yl)-3-(3,4-dichlorophenyl)urea?
The molecular formula of 1-(Azepan-1-yl)-3-(3,4-dichlorophenyl)urea is C13H17Cl2N3O.
What is the molecular weight of 1-(Azepan-1-yl)-3-(3,4-dichlorophenyl)urea?
The molecular weight of 1-(Azepan-1-yl)-3-(3,4-dichlorophenyl)urea is 301.07 g/mol.
Where can I buy 1-(Azepan-1-yl)-3-(3,4-dichlorophenyl)urea?
You can request a quote for 1-(Azepan-1-yl)-3-(3,4-dichlorophenyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Azepan-1-yl)-3-(3,4-dichlorophenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(Azepan-1-yl)-3-(3,4-dichlorophenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.