![1-[1-(Chloromethyl)propyl]-3-[4-(4-nitrophenyl)sulfonylphenyl]urea structure](/static/products/6051/60515-83-5.webp)
1-[1-(Chloromethyl)propyl]-3-[4-(4-nitrophenyl)sulfonylphenyl]urea
TL;DR: 1-[1-(Chloromethyl)propyl]-3-[4-(4-nitrophenyl)sulfonylphenyl]urea (CAS 60515-83-5) is a chemical compound with molecular formula C17H18ClN3O5S and molecular weight 411.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-chlorobutan-2-yl)-3-[4-(4-nitrophenyl)sulfonylphenyl]urea
Also Known As: 1-[1-(chloromethyl)propyl]-3-[4-(4-nitrophenyl)sulfonylphenyl]urea, 1-(1-chlorobutan-2-yl)-3-[4-(4-nitrophenyl)sulfonylphenyl]ur, 1-(1-chlorobutan-2-yl)-3-[4-(4-nitrophenyl)sulfonylphenyl]urea, N-(1-Chlorobutan-2-yl)-N'-[4-(4-nitrobenzene-1-sulfonyl)phenyl]urea, N-[1-(Chloromethyl)propyl]-N'-{4-[(4-nitrophenyl)sulfonyl]phenyl}urea
| Molecular Formula | C17H18ClN3O5S |
|---|---|
| Molecular Weight | 411.07 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.06558 |
| Heavy Atoms | 27 |
| Complexity | 603.0 |
Chemical Identifiers
| CAS Number | 60515-83-5 |
|---|---|
| SMILES | CCC(CCl)NC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | DFQKNPOLAGIDNO-UHFFFAOYSA-N |
Product Overview
1-[1-(Chloromethyl)propyl]-3-[4-(4-nitrophenyl)sulfonylphenyl]urea (CAS 60515-83-5), with molecular formula C17H18ClN3O5S and molecular weight 411.07 g/mol. IUPAC: 1-(1-chlorobutan-2-yl)-3-[4-(4-nitrophenyl)sulfonylphenyl]urea.
Chemical Property Profile of 1-[1-(Chloromethyl)propyl]-3-[4-(4-nitrophenyl)sulfonylphenyl]urea
Property Insights of 1-[1-(Chloromethyl)propyl]-3-[4-(4-nitrophenyl)sulfonylphenyl]urea
The XLogP value of 3.1 indicates that 1-[1-(Chloromethyl)propyl]-3-[4-(4-nitrophenyl)sulfonylphenyl]urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[1-(Chloromethyl)propyl]-3-[4-(4-nitrophenyl)sulfonylphenyl]urea. Following Lipinski's Rule of Five, 1-[1-(Chloromethyl)propyl]-3-[4-(4-nitrophenyl)sulfonylphenyl]urea 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-[1-(Chloromethyl)propyl]-3-[4-(4-nitrophenyl)sulfonylphenyl]urea?
The CAS number of 1-[1-(Chloromethyl)propyl]-3-[4-(4-nitrophenyl)sulfonylphenyl]urea is 60515-83-5.
What is the molecular formula of 1-[1-(Chloromethyl)propyl]-3-[4-(4-nitrophenyl)sulfonylphenyl]urea?
The molecular formula of 1-[1-(Chloromethyl)propyl]-3-[4-(4-nitrophenyl)sulfonylphenyl]urea is C17H18ClN3O5S.
What is the molecular weight of 1-[1-(Chloromethyl)propyl]-3-[4-(4-nitrophenyl)sulfonylphenyl]urea?
The molecular weight of 1-[1-(Chloromethyl)propyl]-3-[4-(4-nitrophenyl)sulfonylphenyl]urea is 411.07 g/mol.
Where can I buy 1-[1-(Chloromethyl)propyl]-3-[4-(4-nitrophenyl)sulfonylphenyl]urea?
You can request a quote for 1-[1-(Chloromethyl)propyl]-3-[4-(4-nitrophenyl)sulfonylphenyl]urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[1-(Chloromethyl)propyl]-3-[4-(4-nitrophenyl)sulfonylphenyl]urea?
Yes, KEHONG BIO provides custom synthesis services for 1-[1-(Chloromethyl)propyl]-3-[4-(4-nitrophenyl)sulfonylphenyl]urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.