![1-[4-(Azepan-1-ylsulfonyl)phenyl]-3-(2,5-dimethoxyphenyl)thiourea structure](/static/products/7745/774546-38-2.webp)
1-[4-(Azepan-1-ylsulfonyl)phenyl]-3-(2,5-dimethoxyphenyl)thiourea
TL;DR: 1-[4-(Azepan-1-ylsulfonyl)phenyl]-3-(2,5-dimethoxyphenyl)thiourea (CAS 774546-38-2) is a chemical compound with molecular formula C21H27N3O4S2 and molecular weight 449.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2,5-dimethoxyphenyl)thiourea
Also Known As: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2,5-dimethoxyphenyl)thiourea, {[4-({[(2,5-dimethoxyphenyl)amino]thioxomethyl}amino)phenyl]sulfonyl}azaperhyd roepine
| Molecular Formula | C21H27N3O4S2 |
|---|---|
| Molecular Weight | 449.14 g/mol |
| LogP | 4.0774 |
| Topological Polar Surface Area | 79.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 449.1443 |
| Heavy Atoms | 30 |
| Complexity | 970.24603 |
Chemical Identifiers
| CAS Number | 774546-38-2 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3 |
Product Overview
1-[4-(Azepan-1-ylsulfonyl)phenyl]-3-(2,5-dimethoxyphenyl)thiourea (CAS 774546-38-2), with molecular formula C21H27N3O4S2 and molecular weight 449.14 g/mol. IUPAC: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2,5-dimethoxyphenyl)thiourea.
Chemical Property Profile of 1-[4-(Azepan-1-ylsulfonyl)phenyl]-3-(2,5-dimethoxyphenyl)thiourea
Property Insights of 1-[4-(Azepan-1-ylsulfonyl)phenyl]-3-(2,5-dimethoxyphenyl)thiourea
The XLogP value of 4.0774 indicates that 1-[4-(Azepan-1-ylsulfonyl)phenyl]-3-(2,5-dimethoxyphenyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[4-(Azepan-1-ylsulfonyl)phenyl]-3-(2,5-dimethoxyphenyl)thiourea. Following Lipinski's Rule of Five, 1-[4-(Azepan-1-ylsulfonyl)phenyl]-3-(2,5-dimethoxyphenyl)thiourea has 2 hydrogen bond donor(s) and 5 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-[4-(Azepan-1-ylsulfonyl)phenyl]-3-(2,5-dimethoxyphenyl)thiourea?
The CAS number of 1-[4-(Azepan-1-ylsulfonyl)phenyl]-3-(2,5-dimethoxyphenyl)thiourea is 774546-38-2.
What is the molecular formula of 1-[4-(Azepan-1-ylsulfonyl)phenyl]-3-(2,5-dimethoxyphenyl)thiourea?
The molecular formula of 1-[4-(Azepan-1-ylsulfonyl)phenyl]-3-(2,5-dimethoxyphenyl)thiourea is C21H27N3O4S2.
What is the molecular weight of 1-[4-(Azepan-1-ylsulfonyl)phenyl]-3-(2,5-dimethoxyphenyl)thiourea?
The molecular weight of 1-[4-(Azepan-1-ylsulfonyl)phenyl]-3-(2,5-dimethoxyphenyl)thiourea is 449.14 g/mol.
Where can I buy 1-[4-(Azepan-1-ylsulfonyl)phenyl]-3-(2,5-dimethoxyphenyl)thiourea?
You can request a quote for 1-[4-(Azepan-1-ylsulfonyl)phenyl]-3-(2,5-dimethoxyphenyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[4-(Azepan-1-ylsulfonyl)phenyl]-3-(2,5-dimethoxyphenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-(Azepan-1-ylsulfonyl)phenyl]-3-(2,5-dimethoxyphenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.