1-(1-Methyl-1-oxo-1,2-benzothiazol-3-ylidene)-3-phenylurea
TL;DR: 1-(1-Methyl-1-oxo-1,2-benzothiazol-3-ylidene)-3-phenylurea (CAS 58099-01-7) is a chemical compound with molecular formula C15H13N3O2S and molecular weight 299.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-methyl-1-oxo-1,2-benzothiazol-3-ylidene)-3-phenylurea
Also Known As: 1-(1-methyl-1-oxo-1,2-benzothiazol-3-ylidene)-3-phenylurea, (1Z)-1-(1-methyl-1-oxo-1,2-benzothiazol-3-ylidene)-3-phenylu
| Molecular Formula | C15H13N3O2S |
|---|---|
| Molecular Weight | 299.07 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 79.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 299.07285 |
| Heavy Atoms | 21 |
| Complexity | 557.0 |
Chemical Identifiers
| CAS Number | 58099-01-7 |
|---|---|
| SMILES | CS1(=NC(=NC(=O)NC2=CC=CC=C2)C3=CC=CC=C31)=O |
| InChIKey | RFKLUZDLXGHEBA-UHFFFAOYSA-N |
Product Overview
1-(1-Methyl-1-oxo-1,2-benzothiazol-3-ylidene)-3-phenylurea (CAS 58099-01-7), with molecular formula C15H13N3O2S and molecular weight 299.07 g/mol. IUPAC: 1-(1-methyl-1-oxo-1,2-benzothiazol-3-ylidene)-3-phenylurea.
Chemical Property Profile of 1-(1-Methyl-1-oxo-1,2-benzothiazol-3-ylidene)-3-phenylurea
Property Insights of 1-(1-Methyl-1-oxo-1,2-benzothiazol-3-ylidene)-3-phenylurea
The XLogP value of 3.0 indicates that 1-(1-Methyl-1-oxo-1,2-benzothiazol-3-ylidene)-3-phenylurea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1-Methyl-1-oxo-1,2-benzothiazol-3-ylidene)-3-phenylurea. Following Lipinski's Rule of Five, 1-(1-Methyl-1-oxo-1,2-benzothiazol-3-ylidene)-3-phenylurea 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 1-(1-Methyl-1-oxo-1,2-benzothiazol-3-ylidene)-3-phenylurea?
The CAS number of 1-(1-Methyl-1-oxo-1,2-benzothiazol-3-ylidene)-3-phenylurea is 58099-01-7.
What is the molecular formula of 1-(1-Methyl-1-oxo-1,2-benzothiazol-3-ylidene)-3-phenylurea?
The molecular formula of 1-(1-Methyl-1-oxo-1,2-benzothiazol-3-ylidene)-3-phenylurea is C15H13N3O2S.
What is the molecular weight of 1-(1-Methyl-1-oxo-1,2-benzothiazol-3-ylidene)-3-phenylurea?
The molecular weight of 1-(1-Methyl-1-oxo-1,2-benzothiazol-3-ylidene)-3-phenylurea is 299.07 g/mol.
Where can I buy 1-(1-Methyl-1-oxo-1,2-benzothiazol-3-ylidene)-3-phenylurea?
You can request a quote for 1-(1-Methyl-1-oxo-1,2-benzothiazol-3-ylidene)-3-phenylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-Methyl-1-oxo-1,2-benzothiazol-3-ylidene)-3-phenylurea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Methyl-1-oxo-1,2-benzothiazol-3-ylidene)-3-phenylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.