![1-Butyl-3-[4-(phenylsulfonyl)phenyl]urea structure](/static/products/6313/6313-98-0.webp)
1-Butyl-3-[4-(phenylsulfonyl)phenyl]urea
TL;DR: 1-Butyl-3-[4-(phenylsulfonyl)phenyl]urea (CAS 6313-98-0) is a chemical compound with molecular formula C17H20N2O3S and molecular weight 332.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(benzenesulfonyl)phenyl]-3-butylurea
Also Known As: 1-butyl-3-[4-(phenylsulfonyl)phenyl]urea, 1-[4-(benzenesulfonyl)phenyl]-3-butylurea, N-[4-(Benzenesulfonyl)phenyl]-N'-butylurea, Urea,N-butyl-N'-[4-(phenylsulfonyl)phenyl]-, 3-[4-(BENZENESULFONYL)PHENYL]-1-BUTYL-UREA
| Molecular Formula | C17H20N2O3S |
|---|---|
| Molecular Weight | 332.12 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 83.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 332.11948 |
| Heavy Atoms | 23 |
| Complexity | 459.0 |
Chemical Identifiers
| CAS Number | 6313-98-0 |
|---|---|
| SMILES | CCCCNC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2 |
| InChIKey | OJTIMABLGFCFDT-UHFFFAOYSA-N |
Product Overview
1-Butyl-3-[4-(phenylsulfonyl)phenyl]urea (CAS 6313-98-0), with molecular formula C17H20N2O3S and molecular weight 332.12 g/mol. IUPAC: 1-[4-(benzenesulfonyl)phenyl]-3-butylurea.
Chemical Property Profile of 1-Butyl-3-[4-(phenylsulfonyl)phenyl]urea
Property Insights of 1-Butyl-3-[4-(phenylsulfonyl)phenyl]urea
The XLogP value of 3.3 indicates that 1-Butyl-3-[4-(phenylsulfonyl)phenyl]urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Butyl-3-[4-(phenylsulfonyl)phenyl]urea. Following Lipinski's Rule of Five, 1-Butyl-3-[4-(phenylsulfonyl)phenyl]urea 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-Butyl-3-[4-(phenylsulfonyl)phenyl]urea?
The CAS number of 1-Butyl-3-[4-(phenylsulfonyl)phenyl]urea is 6313-98-0.
What is the molecular formula of 1-Butyl-3-[4-(phenylsulfonyl)phenyl]urea?
The molecular formula of 1-Butyl-3-[4-(phenylsulfonyl)phenyl]urea is C17H20N2O3S.
What is the molecular weight of 1-Butyl-3-[4-(phenylsulfonyl)phenyl]urea?
The molecular weight of 1-Butyl-3-[4-(phenylsulfonyl)phenyl]urea is 332.12 g/mol.
Where can I buy 1-Butyl-3-[4-(phenylsulfonyl)phenyl]urea?
You can request a quote for 1-Butyl-3-[4-(phenylsulfonyl)phenyl]urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butyl-3-[4-(phenylsulfonyl)phenyl]urea?
Yes, KEHONG BIO provides custom synthesis services for 1-Butyl-3-[4-(phenylsulfonyl)phenyl]urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.