1-(6-Bromo-1,3-benzothiazol-2-yl)-3-(3,4-dichlorophenyl)urea
TL;DR: 1-(6-Bromo-1,3-benzothiazol-2-yl)-3-(3,4-dichlorophenyl)urea (CAS 544656-30-6) is a chemical compound with molecular formula C14H8BrCl2N3OS and molecular weight 414.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(6-bromo-1,3-benzothiazol-2-yl)-3-(3,4-dichlorophenyl)urea
Also Known As: 1-(6-bromo-1,3-benzothiazol-2-yl)-3-(3,4-dichlorophenyl)urea, N-(6-bromo-1,3-benzothiazol-2-yl)-N'-(3,4-dichlorophenyl)urea, N-(3,4-dichlorophenyl)[(6-bromobenzothiazol-2-yl)amino]carboxamide
| Molecular Formula | C14H8BrCl2N3OS |
|---|---|
| Molecular Weight | 414.89 g/mol |
| LogP | 6.0096 |
| Topological Polar Surface Area | 54.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 414.89484 |
| Heavy Atoms | 22 |
| Complexity | 868.4153 |
Chemical Identifiers
| CAS Number | 544656-30-6 |
|---|---|
| SMILES | C1=CC(=C(C=C1NC(=O)NC2=NC3=C(S2)C=C(C=C3)Br)Cl)Cl |
Product Overview
1-(6-Bromo-1,3-benzothiazol-2-yl)-3-(3,4-dichlorophenyl)urea (CAS 544656-30-6), with molecular formula C14H8BrCl2N3OS and molecular weight 414.89 g/mol. IUPAC: 1-(6-bromo-1,3-benzothiazol-2-yl)-3-(3,4-dichlorophenyl)urea.
Chemical Property Profile of 1-(6-Bromo-1,3-benzothiazol-2-yl)-3-(3,4-dichlorophenyl)urea
Property Insights of 1-(6-Bromo-1,3-benzothiazol-2-yl)-3-(3,4-dichlorophenyl)urea
The XLogP value of 6.0096 indicates that 1-(6-Bromo-1,3-benzothiazol-2-yl)-3-(3,4-dichlorophenyl)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-(6-Bromo-1,3-benzothiazol-2-yl)-3-(3,4-dichlorophenyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(6-Bromo-1,3-benzothiazol-2-yl)-3-(3,4-dichlorophenyl)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-(6-Bromo-1,3-benzothiazol-2-yl)-3-(3,4-dichlorophenyl)urea?
The CAS number of 1-(6-Bromo-1,3-benzothiazol-2-yl)-3-(3,4-dichlorophenyl)urea is 544656-30-6.
What is the molecular formula of 1-(6-Bromo-1,3-benzothiazol-2-yl)-3-(3,4-dichlorophenyl)urea?
The molecular formula of 1-(6-Bromo-1,3-benzothiazol-2-yl)-3-(3,4-dichlorophenyl)urea is C14H8BrCl2N3OS.
What is the molecular weight of 1-(6-Bromo-1,3-benzothiazol-2-yl)-3-(3,4-dichlorophenyl)urea?
The molecular weight of 1-(6-Bromo-1,3-benzothiazol-2-yl)-3-(3,4-dichlorophenyl)urea is 414.89 g/mol.
Where can I buy 1-(6-Bromo-1,3-benzothiazol-2-yl)-3-(3,4-dichlorophenyl)urea?
You can request a quote for 1-(6-Bromo-1,3-benzothiazol-2-yl)-3-(3,4-dichlorophenyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(6-Bromo-1,3-benzothiazol-2-yl)-3-(3,4-dichlorophenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(6-Bromo-1,3-benzothiazol-2-yl)-3-(3,4-dichlorophenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.