N-(1,3-Benzothiazol-2-YL)-N'-(3-chlorophenyl)urea
TL;DR: N-(1,3-Benzothiazol-2-YL)-N'-(3-chlorophenyl)urea (CAS 29018-78-8) is a chemical compound with molecular formula C14H10ClN3OS and molecular weight 303.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzothiazol-2-yl)-3-(3-chlorophenyl)urea
Also Known As: N-(1,3-benzothiazol-2-yl)-N'-(3-chlorophenyl)urea, BAS 00528851, 1-(1,3-benzothiazol-2-yl)-3-(3-chlorophenyl)urea, 1-Benzothiazol-2-yl-3-(3-chloro-phenyl)-urea, 1-(Benzo[d]thiazol-2-yl)-3-(3-chlorophenyl)urea
| Molecular Formula | C14H10ClN3OS |
|---|---|
| Molecular Weight | 303.02 g/mol |
| LogP | 4.5937 |
| Topological Polar Surface Area | 54.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 303.02332 |
| Heavy Atoms | 20 |
| Complexity | 738.70984 |
Chemical Identifiers
| CAS Number | 29018-78-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)NC(=O)NC3=CC(=CC=C3)Cl |
Product Overview
N-(1,3-Benzothiazol-2-YL)-N'-(3-chlorophenyl)urea (CAS 29018-78-8), with molecular formula C14H10ClN3OS and molecular weight 303.02 g/mol. IUPAC: 1-(1,3-benzothiazol-2-yl)-3-(3-chlorophenyl)urea.
Chemical Property Profile of N-(1,3-Benzothiazol-2-YL)-N'-(3-chlorophenyl)urea
Property Insights of N-(1,3-Benzothiazol-2-YL)-N'-(3-chlorophenyl)urea
The XLogP value of 4.5937 indicates that N-(1,3-Benzothiazol-2-YL)-N'-(3-chlorophenyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.02 Ų, N-(1,3-Benzothiazol-2-YL)-N'-(3-chlorophenyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,3-Benzothiazol-2-YL)-N'-(3-chlorophenyl)urea 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 N-(1,3-Benzothiazol-2-YL)-N'-(3-chlorophenyl)urea?
The CAS number of N-(1,3-Benzothiazol-2-YL)-N'-(3-chlorophenyl)urea is 29018-78-8.
What is the molecular formula of N-(1,3-Benzothiazol-2-YL)-N'-(3-chlorophenyl)urea?
The molecular formula of N-(1,3-Benzothiazol-2-YL)-N'-(3-chlorophenyl)urea is C14H10ClN3OS.
What is the molecular weight of N-(1,3-Benzothiazol-2-YL)-N'-(3-chlorophenyl)urea?
The molecular weight of N-(1,3-Benzothiazol-2-YL)-N'-(3-chlorophenyl)urea is 303.02 g/mol.
Where can I buy N-(1,3-Benzothiazol-2-YL)-N'-(3-chlorophenyl)urea?
You can request a quote for N-(1,3-Benzothiazol-2-YL)-N'-(3-chlorophenyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-Benzothiazol-2-YL)-N'-(3-chlorophenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-Benzothiazol-2-YL)-N'-(3-chlorophenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.