![1-Butyl-3-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]urea structure](/static/products/4449/444933-55-5.webp)
1-Butyl-3-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]urea
TL;DR: 1-Butyl-3-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]urea (CAS 444933-55-5) is a chemical compound with molecular formula C14H15ClFN3O2S and molecular weight 343.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-3-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]urea
Also Known As: 1-butyl-3-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]urea, N-butyl-2-[(3-chloro-6-fluoro-1-benzothien-2-yl)carbonyl]hydrazinecarboxamide, N-[(N-butylcarbamoyl)amino](3-chloro-6-fluorobenzo[b]thiophen-2-yl)carboxamide, N-butyl-2-[(3-chloro-6-fluoro-1-benzothiophen-2-yl)carbonyl]hydrazinecarboxamide
| Molecular Formula | C14H15ClFN3O2S |
|---|---|
| Molecular Weight | 343.06 g/mol |
| LogP | 3.4379 |
| Topological Polar Surface Area | 70.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 343.05576 |
| Heavy Atoms | 22 |
| Complexity | 704.69794 |
Chemical Identifiers
| CAS Number | 444933-55-5 |
|---|---|
| SMILES | CCCCNC(=O)NNC(=O)C1=C(C2=C(S1)C=C(C=C2)F)Cl |
Product Overview
1-Butyl-3-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]urea (CAS 444933-55-5), with molecular formula C14H15ClFN3O2S and molecular weight 343.06 g/mol. IUPAC: 1-butyl-3-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]urea.
Chemical Property Profile of 1-Butyl-3-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]urea
Property Insights of 1-Butyl-3-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]urea
The XLogP value of 3.4379 indicates that 1-Butyl-3-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Butyl-3-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]urea. Following Lipinski's Rule of Five, 1-Butyl-3-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]urea has 3 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 1-Butyl-3-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]urea?
The CAS number of 1-Butyl-3-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]urea is 444933-55-5.
What is the molecular formula of 1-Butyl-3-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]urea?
The molecular formula of 1-Butyl-3-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]urea is C14H15ClFN3O2S.
What is the molecular weight of 1-Butyl-3-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]urea?
The molecular weight of 1-Butyl-3-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]urea is 343.06 g/mol.
Where can I buy 1-Butyl-3-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]urea?
You can request a quote for 1-Butyl-3-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butyl-3-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]urea?
Yes, KEHONG BIO provides custom synthesis services for 1-Butyl-3-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.