![1-(4-bromophenyl)-3-[(3-chloro-4-fluoro-1-benzothiophene-2-carbonyl)amino]thiourea structure](/static/products/7082/708224-85-5.webp)
1-(4-bromophenyl)-3-[(3-chloro-4-fluoro-1-benzothiophene-2-carbonyl)amino]thiourea
TL;DR: 1-(4-bromophenyl)-3-[(3-chloro-4-fluoro-1-benzothiophene-2-carbonyl)amino]thiourea (CAS 708224-85-5) is a chemical compound with molecular formula C16H10BrClFN3OS2 and molecular weight 456.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-3-[(3-chloro-4-fluoro-1-benzothiophene-2-carbonyl)amino]thiourea
Also Known As: 1-(4-bromophenyl)-3-[(3-chloro-4-fluoro-1-benzothiophene-2-carbonyl)amino]thiourea, N-({[(4-bromophenyl)amino]thioxomethyl}amino)(3-chloro-4-fluorobenzo[b]thiophe n-2-yl)carboxamide, N-(4-bromophenyl)-2-[(3-chloro-4-fluoro-1-benzothiophen-2-yl)carbonyl]hydrazinecarbothioamide
| Molecular Formula | C16H10BrClFN3OS2 |
|---|---|
| Molecular Weight | 456.91 g/mol |
| LogP | 5.0877 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 456.9121 |
| Heavy Atoms | 25 |
| Complexity | 961.9183 |
Chemical Identifiers
| CAS Number | 708224-85-5 |
|---|---|
| SMILES | C1=CC(=C2C(=C1)SC(=C2Cl)C(=O)NNC(=S)NC3=CC=C(C=C3)Br)F |
Product Overview
1-(4-bromophenyl)-3-[(3-chloro-4-fluoro-1-benzothiophene-2-carbonyl)amino]thiourea (CAS 708224-85-5), with molecular formula C16H10BrClFN3OS2 and molecular weight 456.91 g/mol. IUPAC: 1-(4-bromophenyl)-3-[(3-chloro-4-fluoro-1-benzothiophene-2-carbonyl)amino]thiourea.
Chemical Property Profile of 1-(4-bromophenyl)-3-[(3-chloro-4-fluoro-1-benzothiophene-2-carbonyl)amino]thiourea
Property Insights of 1-(4-bromophenyl)-3-[(3-chloro-4-fluoro-1-benzothiophene-2-carbonyl)amino]thiourea
The XLogP value of 5.0877 indicates that 1-(4-bromophenyl)-3-[(3-chloro-4-fluoro-1-benzothiophene-2-carbonyl)amino]thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.16 Ų, 1-(4-bromophenyl)-3-[(3-chloro-4-fluoro-1-benzothiophene-2-carbonyl)amino]thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-bromophenyl)-3-[(3-chloro-4-fluoro-1-benzothiophene-2-carbonyl)amino]thiourea has 3 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-(4-bromophenyl)-3-[(3-chloro-4-fluoro-1-benzothiophene-2-carbonyl)amino]thiourea?
The CAS number of 1-(4-bromophenyl)-3-[(3-chloro-4-fluoro-1-benzothiophene-2-carbonyl)amino]thiourea is 708224-85-5.
What is the molecular formula of 1-(4-bromophenyl)-3-[(3-chloro-4-fluoro-1-benzothiophene-2-carbonyl)amino]thiourea?
The molecular formula of 1-(4-bromophenyl)-3-[(3-chloro-4-fluoro-1-benzothiophene-2-carbonyl)amino]thiourea is C16H10BrClFN3OS2.
What is the molecular weight of 1-(4-bromophenyl)-3-[(3-chloro-4-fluoro-1-benzothiophene-2-carbonyl)amino]thiourea?
The molecular weight of 1-(4-bromophenyl)-3-[(3-chloro-4-fluoro-1-benzothiophene-2-carbonyl)amino]thiourea is 456.91 g/mol.
Where can I buy 1-(4-bromophenyl)-3-[(3-chloro-4-fluoro-1-benzothiophene-2-carbonyl)amino]thiourea?
You can request a quote for 1-(4-bromophenyl)-3-[(3-chloro-4-fluoro-1-benzothiophene-2-carbonyl)amino]thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-bromophenyl)-3-[(3-chloro-4-fluoro-1-benzothiophene-2-carbonyl)amino]thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-bromophenyl)-3-[(3-chloro-4-fluoro-1-benzothiophene-2-carbonyl)amino]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.