1-(6-Ethoxy-1,3-benzothiazol-2-yl)-3-phenylurea
TL;DR: 1-(6-Ethoxy-1,3-benzothiazol-2-yl)-3-phenylurea (CAS 81108-77-2) is a chemical compound with molecular formula C16H15N3O2S and molecular weight 313.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-phenylurea
Also Known As: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-phenylurea, 1-(6-ethoxybenzo[d]thiazol-2-yl)-3-phenylurea, N-(6-ethoxy-1,3-benzothiazol-2-yl)-N'-phenylurea, N-(6-ethoxybenzothiazol-2-yl)(phenylamino)carboxamide, 3-(6-ETHOXY-1,3-BENZOTHIAZOL-2-YL)-1-PHENYLUREA
| Molecular Formula | C16H15N3O2S |
|---|---|
| Molecular Weight | 313.09 g/mol |
| LogP | 4.339 |
| Topological Polar Surface Area | 63.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.0885 |
| Heavy Atoms | 22 |
| Complexity | 786.44507 |
Chemical Identifiers
| CAS Number | 81108-77-2 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)NC3=CC=CC=C3 |
Product Overview
1-(6-Ethoxy-1,3-benzothiazol-2-yl)-3-phenylurea (CAS 81108-77-2), with molecular formula C16H15N3O2S and molecular weight 313.09 g/mol. IUPAC: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-phenylurea.
Chemical Property Profile of 1-(6-Ethoxy-1,3-benzothiazol-2-yl)-3-phenylurea
Property Insights of 1-(6-Ethoxy-1,3-benzothiazol-2-yl)-3-phenylurea
The XLogP value of 4.339 indicates that 1-(6-Ethoxy-1,3-benzothiazol-2-yl)-3-phenylurea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(6-Ethoxy-1,3-benzothiazol-2-yl)-3-phenylurea. Following Lipinski's Rule of Five, 1-(6-Ethoxy-1,3-benzothiazol-2-yl)-3-phenylurea 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-(6-Ethoxy-1,3-benzothiazol-2-yl)-3-phenylurea?
The CAS number of 1-(6-Ethoxy-1,3-benzothiazol-2-yl)-3-phenylurea is 81108-77-2.
What is the molecular formula of 1-(6-Ethoxy-1,3-benzothiazol-2-yl)-3-phenylurea?
The molecular formula of 1-(6-Ethoxy-1,3-benzothiazol-2-yl)-3-phenylurea is C16H15N3O2S.
What is the molecular weight of 1-(6-Ethoxy-1,3-benzothiazol-2-yl)-3-phenylurea?
The molecular weight of 1-(6-Ethoxy-1,3-benzothiazol-2-yl)-3-phenylurea is 313.09 g/mol.
Where can I buy 1-(6-Ethoxy-1,3-benzothiazol-2-yl)-3-phenylurea?
You can request a quote for 1-(6-Ethoxy-1,3-benzothiazol-2-yl)-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-(6-Ethoxy-1,3-benzothiazol-2-yl)-3-phenylurea?
Yes, KEHONG BIO provides custom synthesis services for 1-(6-Ethoxy-1,3-benzothiazol-2-yl)-3-phenylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.