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1-[4-(Azepan-1-ylsulfonyl)phenyl]-3-phenylthiourea
TL;DR: 1-[4-(Azepan-1-ylsulfonyl)phenyl]-3-phenylthiourea (CAS 314765-72-5) is a chemical compound with molecular formula C19H23N3O2S2 and molecular weight 389.12 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-phenylthiourea
Also Known As: BIM-0015534.P001, 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-phenylthiourea, N-[4-(1-azepanylsulfonyl)phenyl]-N'-phenylthiourea, 3-[4-(AZEPANE-1-SULFONYL)PHENYL]-1-PHENYLTHIOUREA
| Molecular Formula | C19H23N3O2S2 |
|---|---|
| Molecular Weight | 389.12 g/mol |
| LogP | 4.0602 |
| Topological Polar Surface Area | 61.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 389.12317 |
| Heavy Atoms | 26 |
| Complexity | 828.8478 |
Chemical Identifiers
| CAS Number | 314765-72-5 |
|---|---|
| SMILES | C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=CC=C3 |
Product Overview
1-[4-(Azepan-1-ylsulfonyl)phenyl]-3-phenylthiourea (CAS 314765-72-5), with molecular formula C19H23N3O2S2 and molecular weight 389.12 g/mol. IUPAC: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-phenylthiourea.
Chemical Property Profile of 1-[4-(Azepan-1-ylsulfonyl)phenyl]-3-phenylthiourea
Property Insights of 1-[4-(Azepan-1-ylsulfonyl)phenyl]-3-phenylthiourea
The XLogP value of 4.0602 indicates that 1-[4-(Azepan-1-ylsulfonyl)phenyl]-3-phenylthiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[4-(Azepan-1-ylsulfonyl)phenyl]-3-phenylthiourea. Following Lipinski's Rule of Five, 1-[4-(Azepan-1-ylsulfonyl)phenyl]-3-phenylthiourea has 2 hydrogen bond donor(s) and 3 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-phenylthiourea?
The CAS number of 1-[4-(Azepan-1-ylsulfonyl)phenyl]-3-phenylthiourea is 314765-72-5.
What is the molecular formula of 1-[4-(Azepan-1-ylsulfonyl)phenyl]-3-phenylthiourea?
The molecular formula of 1-[4-(Azepan-1-ylsulfonyl)phenyl]-3-phenylthiourea is C19H23N3O2S2.
What is the molecular weight of 1-[4-(Azepan-1-ylsulfonyl)phenyl]-3-phenylthiourea?
The molecular weight of 1-[4-(Azepan-1-ylsulfonyl)phenyl]-3-phenylthiourea is 389.12 g/mol.
Where can I buy 1-[4-(Azepan-1-ylsulfonyl)phenyl]-3-phenylthiourea?
You can request a quote for 1-[4-(Azepan-1-ylsulfonyl)phenyl]-3-phenylthiourea 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-phenylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-(Azepan-1-ylsulfonyl)phenyl]-3-phenylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.