1-(4-Methoxyphenyl)-3-(4-methyl-1,4-benzothiazin-3-ylidene)urea
TL;DR: 1-(4-Methoxyphenyl)-3-(4-methyl-1,4-benzothiazin-3-ylidene)urea (CAS 108176-77-8) is a chemical compound with molecular formula C17H17N3O2S and molecular weight 327.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methoxyphenyl)-3-(4-methyl-1,4-benzothiazin-3-ylidene)urea
Also Known As: Urea,N-(4-methoxyphenyl)-N'-(4-methyl-2H-1,4-benzothiazin-3(4H)-ylidene)-, (4-Methoxyphenyl)(4-methyl-2H-1,4-benzothiazin-3(4H)-ylidene)urea, Urea, (4-methoxyphenyl)(4-methyl-2H-1,4-benzothiazin-3(4H)-ylidene)-
| Molecular Formula | C17H17N3O2S |
|---|---|
| Molecular Weight | 327.10 g/mol |
| LogP | 3.8677 |
| Topological Polar Surface Area | 53.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 327.10416 |
| Heavy Atoms | 23 |
| Complexity | 743.7586 |
Chemical Identifiers
| CAS Number | 108176-77-8 |
|---|---|
| SMILES | CN1C(=NC(=O)NC2=CC=C(C=C2)OC)CSC3=CC=CC=C31 |
Product Overview
1-(4-Methoxyphenyl)-3-(4-methyl-1,4-benzothiazin-3-ylidene)urea (CAS 108176-77-8), with molecular formula C17H17N3O2S and molecular weight 327.10 g/mol. IUPAC: 1-(4-methoxyphenyl)-3-(4-methyl-1,4-benzothiazin-3-ylidene)urea.
Chemical Property Profile of 1-(4-Methoxyphenyl)-3-(4-methyl-1,4-benzothiazin-3-ylidene)urea
Property Insights of 1-(4-Methoxyphenyl)-3-(4-methyl-1,4-benzothiazin-3-ylidene)urea
The XLogP value of 3.8677 indicates that 1-(4-Methoxyphenyl)-3-(4-methyl-1,4-benzothiazin-3-ylidene)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.93 Ų, 1-(4-Methoxyphenyl)-3-(4-methyl-1,4-benzothiazin-3-ylidene)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Methoxyphenyl)-3-(4-methyl-1,4-benzothiazin-3-ylidene)urea has 1 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 1-(4-Methoxyphenyl)-3-(4-methyl-1,4-benzothiazin-3-ylidene)urea?
The CAS number of 1-(4-Methoxyphenyl)-3-(4-methyl-1,4-benzothiazin-3-ylidene)urea is 108176-77-8.
What is the molecular formula of 1-(4-Methoxyphenyl)-3-(4-methyl-1,4-benzothiazin-3-ylidene)urea?
The molecular formula of 1-(4-Methoxyphenyl)-3-(4-methyl-1,4-benzothiazin-3-ylidene)urea is C17H17N3O2S.
What is the molecular weight of 1-(4-Methoxyphenyl)-3-(4-methyl-1,4-benzothiazin-3-ylidene)urea?
The molecular weight of 1-(4-Methoxyphenyl)-3-(4-methyl-1,4-benzothiazin-3-ylidene)urea is 327.10 g/mol.
Where can I buy 1-(4-Methoxyphenyl)-3-(4-methyl-1,4-benzothiazin-3-ylidene)urea?
You can request a quote for 1-(4-Methoxyphenyl)-3-(4-methyl-1,4-benzothiazin-3-ylidene)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Methoxyphenyl)-3-(4-methyl-1,4-benzothiazin-3-ylidene)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methoxyphenyl)-3-(4-methyl-1,4-benzothiazin-3-ylidene)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.