![methyl 2-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]-5-propylthiophene-3-carboxylate structure](/static/products/4449/444908-49-0.webp)
methyl 2-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]-5-propylthiophene-3-carboxylate
TL;DR: methyl 2-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]-5-propylthiophene-3-carboxylate (CAS 444908-49-0) is a chemical compound with molecular formula C18H15ClFNO3S2 and molecular weight 411.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]-5-propylthiophene-3-carboxylate
Also Known As: methyl 2-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]-5-propylthiophene-3-carboxylate, methyl 2-{[(3-chloro-6-fluoro-1-benzothien-2-yl)carbonyl]amino}-5-propyl-3-thiophenecarboxylate, methyl 2-[(3-chloro-6-fluorobenzo[b]thiophen-2-yl)carbonylamino]-5-propylthiop hene-3-carboxylate, methyl 2-{[(3-chloro-6-fluoro-1-benzothiophen-2-yl)carbonyl]amino}-5-propylthiophene-3-carboxylate
| Molecular Formula | C18H15ClFNO3S2 |
|---|---|
| Molecular Weight | 411.02 g/mol |
| LogP | 5.7467 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.0166 |
| Heavy Atoms | 26 |
| Complexity | 995.8961 |
Chemical Identifiers
| CAS Number | 444908-49-0 |
|---|---|
| SMILES | CCCC1=CC(=C(S1)NC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl)C(=O)OC |
Product Overview
methyl 2-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]-5-propylthiophene-3-carboxylate (CAS 444908-49-0), with molecular formula C18H15ClFNO3S2 and molecular weight 411.02 g/mol. IUPAC: methyl 2-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]-5-propylthiophene-3-carboxylate.
Chemical Property Profile of methyl 2-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]-5-propylthiophene-3-carboxylate
Property Insights of methyl 2-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]-5-propylthiophene-3-carboxylate
The XLogP value of 5.7467 indicates that methyl 2-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]-5-propylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, methyl 2-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]-5-propylthiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 2-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]-5-propylthiophene-3-carboxylate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 2-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]-5-propylthiophene-3-carboxylate?
The CAS number of methyl 2-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]-5-propylthiophene-3-carboxylate is 444908-49-0.
What is the molecular formula of methyl 2-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]-5-propylthiophene-3-carboxylate?
The molecular formula of methyl 2-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]-5-propylthiophene-3-carboxylate is C18H15ClFNO3S2.
What is the molecular weight of methyl 2-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]-5-propylthiophene-3-carboxylate?
The molecular weight of methyl 2-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]-5-propylthiophene-3-carboxylate is 411.02 g/mol.
Where can I buy methyl 2-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]-5-propylthiophene-3-carboxylate?
You can request a quote for methyl 2-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]-5-propylthiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]-5-propylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]-5-propylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.