1-(3-Chlorophenyl)-3-(4,6-dimethyl-1,3-benzothiazol-2-yl)urea
TL;DR: 1-(3-Chlorophenyl)-3-(4,6-dimethyl-1,3-benzothiazol-2-yl)urea (CAS 476281-23-9) is a chemical compound with molecular formula C16H14ClN3OS and molecular weight 331.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chlorophenyl)-3-(4,6-dimethyl-1,3-benzothiazol-2-yl)urea
Also Known As: 1-(3-chlorophenyl)-3-(4,6-dimethyl-1,3-benzothiazol-2-yl)urea, AB00667504-01, F0327-0194, 1-(3-chlorophenyl)-3-(4,6-dimethylbenzo[d]thiazol-2-yl)urea, 3-(m-chlorophenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)urea
| Molecular Formula | C16H14ClN3OS |
|---|---|
| Molecular Weight | 331.05 g/mol |
| LogP | 5.21054 |
| Topological Polar Surface Area | 54.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 331.0546 |
| Heavy Atoms | 22 |
| Complexity | 859.71826 |
Chemical Identifiers
| CAS Number | 476281-23-9 |
|---|---|
| SMILES | CC1=CC(=C2C(=C1)SC(=N2)NC(=O)NC3=CC(=CC=C3)Cl)C |
Product Overview
1-(3-Chlorophenyl)-3-(4,6-dimethyl-1,3-benzothiazol-2-yl)urea (CAS 476281-23-9), with molecular formula C16H14ClN3OS and molecular weight 331.05 g/mol. IUPAC: 1-(3-chlorophenyl)-3-(4,6-dimethyl-1,3-benzothiazol-2-yl)urea.
Chemical Property Profile of 1-(3-Chlorophenyl)-3-(4,6-dimethyl-1,3-benzothiazol-2-yl)urea
Property Insights of 1-(3-Chlorophenyl)-3-(4,6-dimethyl-1,3-benzothiazol-2-yl)urea
The XLogP value of 5.21054 indicates that 1-(3-Chlorophenyl)-3-(4,6-dimethyl-1,3-benzothiazol-2-yl)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, 1-(3-Chlorophenyl)-3-(4,6-dimethyl-1,3-benzothiazol-2-yl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Chlorophenyl)-3-(4,6-dimethyl-1,3-benzothiazol-2-yl)urea has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(3-Chlorophenyl)-3-(4,6-dimethyl-1,3-benzothiazol-2-yl)urea?
The CAS number of 1-(3-Chlorophenyl)-3-(4,6-dimethyl-1,3-benzothiazol-2-yl)urea is 476281-23-9.
What is the molecular formula of 1-(3-Chlorophenyl)-3-(4,6-dimethyl-1,3-benzothiazol-2-yl)urea?
The molecular formula of 1-(3-Chlorophenyl)-3-(4,6-dimethyl-1,3-benzothiazol-2-yl)urea is C16H14ClN3OS.
What is the molecular weight of 1-(3-Chlorophenyl)-3-(4,6-dimethyl-1,3-benzothiazol-2-yl)urea?
The molecular weight of 1-(3-Chlorophenyl)-3-(4,6-dimethyl-1,3-benzothiazol-2-yl)urea is 331.05 g/mol.
Where can I buy 1-(3-Chlorophenyl)-3-(4,6-dimethyl-1,3-benzothiazol-2-yl)urea?
You can request a quote for 1-(3-Chlorophenyl)-3-(4,6-dimethyl-1,3-benzothiazol-2-yl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Chlorophenyl)-3-(4,6-dimethyl-1,3-benzothiazol-2-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Chlorophenyl)-3-(4,6-dimethyl-1,3-benzothiazol-2-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.