Urea, N-2H-1,4-benzothiazin-3-yl-N'-(2,6-dimethylphenyl)-
TL;DR: Urea, N-2H-1,4-benzothiazin-3-yl-N'-(2,6-dimethylphenyl)- (CAS 108176-70-1) is a chemical compound with molecular formula C17H17N3OS and molecular weight 311.11 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-(2,6-dimethylphenyl)urea
Also Known As: Urea, N-2H-1,4-benzothiazin-3-yl-N'-(2,6-dimethylphenyl)-, N-2H-1,4-Benzothiazin-3-yl-N'-(2,6-dimethylphenyl)urea, 1-(2H-1,4-benzothiazin-3-yl)-3-(2,6-dimethylphenyl)urea, N-(2H-1,4-Benzothiazin-3-yl)-N'-(2,6-dimethylphenyl)urea, BRN 5606661
| Molecular Formula | C17H17N3OS |
|---|---|
| Molecular Weight | 311.11 g/mol |
| LogP | 4.26084 |
| Topological Polar Surface Area | 53.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 311.10922 |
| Heavy Atoms | 22 |
| Complexity | 735.06934 |
Chemical Identifiers
| CAS Number | 108176-70-1 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)NC2=NC3=CC=CC=C3SC2 |
Product Overview
Urea, N-2H-1,4-benzothiazin-3-yl-N'-(2,6-dimethylphenyl)- (CAS 108176-70-1), with molecular formula C17H17N3OS and molecular weight 311.11 g/mol. IUPAC: 1-(2H-1,4-benzothiazin-3-yl)-3-(2,6-dimethylphenyl)urea.
Chemical Property Profile of Urea, N-2H-1,4-benzothiazin-3-yl-N'-(2,6-dimethylphenyl)-
Property Insights of Urea, N-2H-1,4-benzothiazin-3-yl-N'-(2,6-dimethylphenyl)-
The XLogP value of 4.26084 indicates that Urea, N-2H-1,4-benzothiazin-3-yl-N'-(2,6-dimethylphenyl)- 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'-(2,6-dimethylphenyl)- 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'-(2,6-dimethylphenyl)- 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'-(2,6-dimethylphenyl)-?
The CAS number of Urea, N-2H-1,4-benzothiazin-3-yl-N'-(2,6-dimethylphenyl)- is 108176-70-1.
What is the molecular formula of Urea, N-2H-1,4-benzothiazin-3-yl-N'-(2,6-dimethylphenyl)-?
The molecular formula of Urea, N-2H-1,4-benzothiazin-3-yl-N'-(2,6-dimethylphenyl)- is C17H17N3OS.
What is the molecular weight of Urea, N-2H-1,4-benzothiazin-3-yl-N'-(2,6-dimethylphenyl)-?
The molecular weight of Urea, N-2H-1,4-benzothiazin-3-yl-N'-(2,6-dimethylphenyl)- is 311.11 g/mol.
Where can I buy Urea, N-2H-1,4-benzothiazin-3-yl-N'-(2,6-dimethylphenyl)-?
You can request a quote for Urea, N-2H-1,4-benzothiazin-3-yl-N'-(2,6-dimethylphenyl)- 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'-(2,6-dimethylphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Urea, N-2H-1,4-benzothiazin-3-yl-N'-(2,6-dimethylphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.