Urea, N-2H-1,4-benzothiazin-3-yl-N'-(4-chlorophenyl)-
TL;DR: Urea, N-2H-1,4-benzothiazin-3-yl-N'-(4-chlorophenyl)- (CAS 108176-68-7) is a chemical compound with molecular formula C15H12ClN3OS and molecular weight 317.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2H-1,4-benzothiazin-3-yl)-3-(4-chlorophenyl)urea
Also Known As: Urea, N-2H-1,4-benzothiazin-3-yl-N'-(4-chlorophenyl)-, N-2H-1,4-Benzothiazin-3-yl-N'-(4-chlorophenyl)urea, 1-(2H-1,4-benzothiazin-3-yl)-3-(4-chlorophenyl)urea, N-(2H-1,4-Benzothiazin-3-yl)-N'-(4-chlorophenyl)urea, BRN 5596840
| Molecular Formula | C15H12ClN3OS |
|---|---|
| Molecular Weight | 317.04 g/mol |
| LogP | 4.2974 |
| Topological Polar Surface Area | 53.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 317.03897 |
| Heavy Atoms | 21 |
| Complexity | 700.3198 |
Chemical Identifiers
| CAS Number | 108176-68-7 |
|---|---|
| SMILES | C1C(=NC2=CC=CC=C2S1)NC(=O)NC3=CC=C(C=C3)Cl |
Product Overview
Urea, N-2H-1,4-benzothiazin-3-yl-N'-(4-chlorophenyl)- (CAS 108176-68-7), with molecular formula C15H12ClN3OS and molecular weight 317.04 g/mol. IUPAC: 1-(2H-1,4-benzothiazin-3-yl)-3-(4-chlorophenyl)urea.
Chemical Property Profile of Urea, N-2H-1,4-benzothiazin-3-yl-N'-(4-chlorophenyl)-
Property Insights of Urea, N-2H-1,4-benzothiazin-3-yl-N'-(4-chlorophenyl)-
The XLogP value of 4.2974 indicates that Urea, N-2H-1,4-benzothiazin-3-yl-N'-(4-chlorophenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.49 Ų, Urea, N-2H-1,4-benzothiazin-3-yl-N'-(4-chlorophenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Urea, N-2H-1,4-benzothiazin-3-yl-N'-(4-chlorophenyl)- 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 Urea, N-2H-1,4-benzothiazin-3-yl-N'-(4-chlorophenyl)-?
The CAS number of Urea, N-2H-1,4-benzothiazin-3-yl-N'-(4-chlorophenyl)- is 108176-68-7.
What is the molecular formula of Urea, N-2H-1,4-benzothiazin-3-yl-N'-(4-chlorophenyl)-?
The molecular formula of Urea, N-2H-1,4-benzothiazin-3-yl-N'-(4-chlorophenyl)- is C15H12ClN3OS.
What is the molecular weight of Urea, N-2H-1,4-benzothiazin-3-yl-N'-(4-chlorophenyl)-?
The molecular weight of Urea, N-2H-1,4-benzothiazin-3-yl-N'-(4-chlorophenyl)- is 317.04 g/mol.
Where can I buy Urea, N-2H-1,4-benzothiazin-3-yl-N'-(4-chlorophenyl)-?
You can request a quote for Urea, N-2H-1,4-benzothiazin-3-yl-N'-(4-chlorophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea, N-2H-1,4-benzothiazin-3-yl-N'-(4-chlorophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Urea, N-2H-1,4-benzothiazin-3-yl-N'-(4-chlorophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.