RefChem:387543
TL;DR: RefChem:387543 (CAS 28996-28-3) is a chemical compound with molecular formula C16H12BrClN4OS2 and molecular weight 453.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-3-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-yl)thiourea;hydrochloride
Also Known As: Urea, 1-(p-bromophenyl)-3-(2,3-dihydro-3-oxothiazolo(3,2-a)benzimidazol-2-yl)-2-thio-, monohydrochloride, 1-(4-bromophenyl)-3-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-yl)thiourea hydrochloride, N-(4-Bromophenyl)-N'-(3-oxo-2,3-dihydro[1,3]thiazolo[3,2-a][1,3]benzimidazol-2-yl)carbamimidothioic acid--hydrogen chloride (1/1), N-(4-Bromophenyl)-N'-(3-oxo-2,3-dihydro[1,3]thiazolo[3,2-a]benzimidazol-2-yl)carbamimidothioic acid--hydrogen chloride (1/1), RefChem:387543
| Molecular Formula | C16H12BrClN4OS2 |
|---|---|
| Molecular Weight | 453.93 g/mol |
| LogP | 4.2792 |
| Topological Polar Surface Area | 58.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 453.93243 |
| Heavy Atoms | 25 |
| Complexity | 960.42804 |
Chemical Identifiers
| CAS Number | 28996-28-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C3N2C(=O)C(S3)NC(=S)NC4=CC=C(C=C4)Br.Cl |
Product Overview
RefChem:387543 (CAS 28996-28-3), with molecular formula C16H12BrClN4OS2 and molecular weight 453.93 g/mol. IUPAC: 1-(4-bromophenyl)-3-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-yl)thiourea;hydrochloride.
Chemical Property Profile of RefChem:387543
Property Insights of RefChem:387543
The XLogP value of 4.2792 indicates that RefChem:387543 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.95 Ų, RefChem:387543 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:387543 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 RefChem:387543?
The CAS number of RefChem:387543 is 28996-28-3.
What is the molecular formula of RefChem:387543?
The molecular formula of RefChem:387543 is C16H12BrClN4OS2.
What is the molecular weight of RefChem:387543?
The molecular weight of RefChem:387543 is 453.93 g/mol.
Where can I buy RefChem:387543?
You can request a quote for RefChem:387543 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:387543?
Yes, KEHONG BIO provides custom synthesis services for RefChem:387543 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.