Urea, (4-chlorophenyl)(4-methyl-2H-1,4-benzothiazin-3(4H)-ylidene)-
TL;DR: Urea, (4-chlorophenyl)(4-methyl-2H-1,4-benzothiazin-3(4H)-ylidene)- (CAS 108176-78-9) is a chemical compound with molecular formula C16H14ClN3OS and molecular weight 331.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3Z)-1-(4-chlorophenyl)-3-(4-methyl-1,4-benzothiazin-3-ylidene)urea
Also Known As: (4-Chlorophenyl)(4-methyl-2H-1,4-benzothiazin-3(4H)-ylidene)urea, Urea, (4-chlorophenyl)(4-methyl-2H-1,4-benzothiazin-3(4H)-ylidene)-, (3Z)-1-(4-chlorophenyl)-3-(4-methyl-1,4-benzothiazin-3-ylidene)urea, RefChem:1100679, BRN 5600728
| Molecular Formula | C16H14ClN3OS |
|---|---|
| Molecular Weight | 331.05 g/mol |
| LogP | 4.5125 |
| Topological Polar Surface Area | 44.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 331.0546 |
| Heavy Atoms | 22 |
| Complexity | 730.4257 |
Chemical Identifiers
| CAS Number | 108176-78-9 |
|---|---|
| SMILES | CN1/C(=N\C(=O)NC2=CC=C(C=C2)Cl)/CSC3=CC=CC=C31 |
Product Overview
Urea, (4-chlorophenyl)(4-methyl-2H-1,4-benzothiazin-3(4H)-ylidene)- (CAS 108176-78-9), with molecular formula C16H14ClN3OS and molecular weight 331.05 g/mol. IUPAC: (3Z)-1-(4-chlorophenyl)-3-(4-methyl-1,4-benzothiazin-3-ylidene)urea.
Chemical Property Profile of Urea, (4-chlorophenyl)(4-methyl-2H-1,4-benzothiazin-3(4H)-ylidene)-
Property Insights of Urea, (4-chlorophenyl)(4-methyl-2H-1,4-benzothiazin-3(4H)-ylidene)-
The XLogP value of 4.5125 indicates that Urea, (4-chlorophenyl)(4-methyl-2H-1,4-benzothiazin-3(4H)-ylidene)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.7 Ų, Urea, (4-chlorophenyl)(4-methyl-2H-1,4-benzothiazin-3(4H)-ylidene)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Urea, (4-chlorophenyl)(4-methyl-2H-1,4-benzothiazin-3(4H)-ylidene)- has 1 hydrogen bond donor(s) and 2 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, (4-chlorophenyl)(4-methyl-2H-1,4-benzothiazin-3(4H)-ylidene)-?
The CAS number of Urea, (4-chlorophenyl)(4-methyl-2H-1,4-benzothiazin-3(4H)-ylidene)- is 108176-78-9.
What is the molecular formula of Urea, (4-chlorophenyl)(4-methyl-2H-1,4-benzothiazin-3(4H)-ylidene)-?
The molecular formula of Urea, (4-chlorophenyl)(4-methyl-2H-1,4-benzothiazin-3(4H)-ylidene)- is C16H14ClN3OS.
What is the molecular weight of Urea, (4-chlorophenyl)(4-methyl-2H-1,4-benzothiazin-3(4H)-ylidene)-?
The molecular weight of Urea, (4-chlorophenyl)(4-methyl-2H-1,4-benzothiazin-3(4H)-ylidene)- is 331.05 g/mol.
Where can I buy Urea, (4-chlorophenyl)(4-methyl-2H-1,4-benzothiazin-3(4H)-ylidene)-?
You can request a quote for Urea, (4-chlorophenyl)(4-methyl-2H-1,4-benzothiazin-3(4H)-ylidene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea, (4-chlorophenyl)(4-methyl-2H-1,4-benzothiazin-3(4H)-ylidene)-?
Yes, KEHONG BIO provides custom synthesis services for Urea, (4-chlorophenyl)(4-methyl-2H-1,4-benzothiazin-3(4H)-ylidene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.