1,3-Bis((phenylsulphonyl)methyl)urea
TL;DR: 1,3-Bis((phenylsulphonyl)methyl)urea (CAS 76965-49-6) is a chemical compound with molecular formula C15H16N2O5S2 and molecular weight 368.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(benzenesulfonylmethyl)urea
Also Known As: 1,3-bis[ methyl]urea, EINECS 278-582-2, 1,3-Bis((phenylsulphonyl)methyl)urea, 1,3-bis(benzenesulfonylmethyl)urea, 1,3-bis(phenylsulfonylmethyl)urea
| Molecular Formula | C15H16N2O5S2 |
|---|---|
| Molecular Weight | 368.05 g/mol |
| LogP | 1.1484 |
| Topological Polar Surface Area | 109.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 368.05005 |
| Heavy Atoms | 24 |
| Complexity | 819.8953 |
Chemical Identifiers
| CAS Number | 76965-49-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)CNC(=O)NCS(=O)(=O)C2=CC=CC=C2 |
Product Overview
1,3-Bis((phenylsulphonyl)methyl)urea (CAS 76965-49-6), with molecular formula C15H16N2O5S2 and molecular weight 368.05 g/mol. IUPAC: 1,3-bis(benzenesulfonylmethyl)urea.
Chemical Property Profile of 1,3-Bis((phenylsulphonyl)methyl)urea
Property Insights of 1,3-Bis((phenylsulphonyl)methyl)urea
The XLogP value of 1.1484 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Bis((phenylsulphonyl)methyl)urea. The TPSA of 109.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Bis((phenylsulphonyl)methyl)urea. Following Lipinski's Rule of Five, 1,3-Bis((phenylsulphonyl)methyl)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 1,3-Bis((phenylsulphonyl)methyl)urea?
The CAS number of 1,3-Bis((phenylsulphonyl)methyl)urea is 76965-49-6.
What is the molecular formula of 1,3-Bis((phenylsulphonyl)methyl)urea?
The molecular formula of 1,3-Bis((phenylsulphonyl)methyl)urea is C15H16N2O5S2.
What is the molecular weight of 1,3-Bis((phenylsulphonyl)methyl)urea?
The molecular weight of 1,3-Bis((phenylsulphonyl)methyl)urea is 368.05 g/mol.
Where can I buy 1,3-Bis((phenylsulphonyl)methyl)urea?
You can request a quote for 1,3-Bis((phenylsulphonyl)methyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Bis((phenylsulphonyl)methyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Bis((phenylsulphonyl)methyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.