1-(1,2-Benzothiazol-3-yl)-3-(3-methoxyphenyl)urea
TL;DR: 1-(1,2-Benzothiazol-3-yl)-3-(3-methoxyphenyl)urea (CAS 113455-70-2) 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-(1,2-benzothiazol-3-yl)-3-(3-methoxyphenyl)urea
Also Known As: 1-(1,2-benzothiazol-3-yl)-3-(3-methoxyphenyl)urea, KST-1A9898, Urea,N-1,2-benzisothiazol-3-yl-N'-butyl, Urea, 1-(1,2-benzothiazol-3-yl)-3-(3-methoxyphenyl)-, Urea,N-1,2-benzisothiazol-3-yl-N'-(3-methoxyphenyl)-
| Molecular Formula | C15H13N3O2S |
|---|---|
| Molecular Weight | 299.07 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 91.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 299.07285 |
| Heavy Atoms | 21 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 113455-70-2 |
|---|---|
| SMILES | COC1=CC=CC(=C1)NC(=O)NC2=NSC3=CC=CC=C32 |
| InChIKey | QKHOUYMJENDWDS-UHFFFAOYSA-N |
Product Overview
1-(1,2-Benzothiazol-3-yl)-3-(3-methoxyphenyl)urea (CAS 113455-70-2), with molecular formula C15H13N3O2S and molecular weight 299.07 g/mol. IUPAC: 1-(1,2-benzothiazol-3-yl)-3-(3-methoxyphenyl)urea.
Chemical Property Profile of 1-(1,2-Benzothiazol-3-yl)-3-(3-methoxyphenyl)urea
Property Insights of 1-(1,2-Benzothiazol-3-yl)-3-(3-methoxyphenyl)urea
The XLogP value of 3.2 indicates that 1-(1,2-Benzothiazol-3-yl)-3-(3-methoxyphenyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,2-Benzothiazol-3-yl)-3-(3-methoxyphenyl)urea. Following Lipinski's Rule of Five, 1-(1,2-Benzothiazol-3-yl)-3-(3-methoxyphenyl)urea has 2 hydrogen bond donor(s) and 4 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-(1,2-Benzothiazol-3-yl)-3-(3-methoxyphenyl)urea?
The CAS number of 1-(1,2-Benzothiazol-3-yl)-3-(3-methoxyphenyl)urea is 113455-70-2.
What is the molecular formula of 1-(1,2-Benzothiazol-3-yl)-3-(3-methoxyphenyl)urea?
The molecular formula of 1-(1,2-Benzothiazol-3-yl)-3-(3-methoxyphenyl)urea is C15H13N3O2S.
What is the molecular weight of 1-(1,2-Benzothiazol-3-yl)-3-(3-methoxyphenyl)urea?
The molecular weight of 1-(1,2-Benzothiazol-3-yl)-3-(3-methoxyphenyl)urea is 299.07 g/mol.
Where can I buy 1-(1,2-Benzothiazol-3-yl)-3-(3-methoxyphenyl)urea?
You can request a quote for 1-(1,2-Benzothiazol-3-yl)-3-(3-methoxyphenyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,2-Benzothiazol-3-yl)-3-(3-methoxyphenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,2-Benzothiazol-3-yl)-3-(3-methoxyphenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.