![propyl 2-[(3-chloro-6-ethyl-1-benzothiophene-2-carbonyl)amino]-5-methyl-4-[4-(2-methylpropyl)phenyl]thiophene-3-carboxylate structure](/static/products/5158/515872-62-5.webp)
propyl 2-[(3-chloro-6-ethyl-1-benzothiophene-2-carbonyl)amino]-5-methyl-4-[4-(2-methylpropyl)phenyl]thiophene-3-carboxylate
TL;DR: propyl 2-[(3-chloro-6-ethyl-1-benzothiophene-2-carbonyl)amino]-5-methyl-4-[4-(2-methylpropyl)phenyl]thiophene-3-carboxylate (CAS 515872-62-5) is a chemical compound with molecular formula C30H32ClNO3S2 and molecular weight 553.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 2-[(3-chloro-6-ethyl-1-benzothiophene-2-carbonyl)amino]-5-methyl-4-[4-(2-methylpropyl)phenyl]thiophene-3-carboxylate
Also Known As: propyl 2-[(3-chloro-6-ethyl-1-benzothiophene-2-carbonyl)amino]-5-methyl-4-[4-(2-methylpropyl)phenyl]thiophene-3-carboxylate, propyl 2-{[(3-chloro-6-ethyl-1-benzothien-2-yl)carbonyl]amino}-4-(4-isobutylphenyl)-5-methyl-3-thiophenecarboxylate, propyl 2-(3-chloro-6-ethylbenzo[b]thiophene-2-carboxamido)-4-(4-isobutylphenyl)-5-methylthiophene-3-carboxylate, propyl 2-[(3-chloro-6-ethylbenzo[b]thiophen-2-yl)carbonylamino]-5-methyl-4-[4- (2-methylpropyl)phenyl]thiophene-3-carboxylate, propyl 2-{[(3-chloro-6-ethyl-1-benzothiophen-2-yl)carbonyl]amino}-5-methyl-4-[4-(2-methylpropyl)phenyl]thiophene-3-carboxylate
| Molecular Formula | C30H32ClNO3S2 |
|---|---|
| Molecular Weight | 553.15 g/mol |
| LogP | 9.17162 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 553.1512 |
| Heavy Atoms | 37 |
| Complexity | 1433.5549 |
Chemical Identifiers
| CAS Number | 515872-62-5 |
|---|---|
| SMILES | CCCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)CC(C)C)C)NC(=O)C3=C(C4=C(S3)C=C(C=C4)CC)Cl |
Product Overview
propyl 2-[(3-chloro-6-ethyl-1-benzothiophene-2-carbonyl)amino]-5-methyl-4-[4-(2-methylpropyl)phenyl]thiophene-3-carboxylate (CAS 515872-62-5), with molecular formula C30H32ClNO3S2 and molecular weight 553.15 g/mol. IUPAC: propyl 2-[(3-chloro-6-ethyl-1-benzothiophene-2-carbonyl)amino]-5-methyl-4-[4-(2-methylpropyl)phenyl]thiophene-3-carboxylate.
Chemical Property Profile of propyl 2-[(3-chloro-6-ethyl-1-benzothiophene-2-carbonyl)amino]-5-methyl-4-[4-(2-methylpropyl)phenyl]thiophene-3-carboxylate
Property Insights of propyl 2-[(3-chloro-6-ethyl-1-benzothiophene-2-carbonyl)amino]-5-methyl-4-[4-(2-methylpropyl)phenyl]thiophene-3-carboxylate
The XLogP value of 9.17162 indicates that propyl 2-[(3-chloro-6-ethyl-1-benzothiophene-2-carbonyl)amino]-5-methyl-4-[4-(2-methylpropyl)phenyl]thiophene-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, propyl 2-[(3-chloro-6-ethyl-1-benzothiophene-2-carbonyl)amino]-5-methyl-4-[4-(2-methylpropyl)phenyl]thiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, propyl 2-[(3-chloro-6-ethyl-1-benzothiophene-2-carbonyl)amino]-5-methyl-4-[4-(2-methylpropyl)phenyl]thiophene-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 propyl 2-[(3-chloro-6-ethyl-1-benzothiophene-2-carbonyl)amino]-5-methyl-4-[4-(2-methylpropyl)phenyl]thiophene-3-carboxylate?
The CAS number of propyl 2-[(3-chloro-6-ethyl-1-benzothiophene-2-carbonyl)amino]-5-methyl-4-[4-(2-methylpropyl)phenyl]thiophene-3-carboxylate is 515872-62-5.
What is the molecular formula of propyl 2-[(3-chloro-6-ethyl-1-benzothiophene-2-carbonyl)amino]-5-methyl-4-[4-(2-methylpropyl)phenyl]thiophene-3-carboxylate?
The molecular formula of propyl 2-[(3-chloro-6-ethyl-1-benzothiophene-2-carbonyl)amino]-5-methyl-4-[4-(2-methylpropyl)phenyl]thiophene-3-carboxylate is C30H32ClNO3S2.
What is the molecular weight of propyl 2-[(3-chloro-6-ethyl-1-benzothiophene-2-carbonyl)amino]-5-methyl-4-[4-(2-methylpropyl)phenyl]thiophene-3-carboxylate?
The molecular weight of propyl 2-[(3-chloro-6-ethyl-1-benzothiophene-2-carbonyl)amino]-5-methyl-4-[4-(2-methylpropyl)phenyl]thiophene-3-carboxylate is 553.15 g/mol.
Where can I buy propyl 2-[(3-chloro-6-ethyl-1-benzothiophene-2-carbonyl)amino]-5-methyl-4-[4-(2-methylpropyl)phenyl]thiophene-3-carboxylate?
You can request a quote for propyl 2-[(3-chloro-6-ethyl-1-benzothiophene-2-carbonyl)amino]-5-methyl-4-[4-(2-methylpropyl)phenyl]thiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for propyl 2-[(3-chloro-6-ethyl-1-benzothiophene-2-carbonyl)amino]-5-methyl-4-[4-(2-methylpropyl)phenyl]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for propyl 2-[(3-chloro-6-ethyl-1-benzothiophene-2-carbonyl)amino]-5-methyl-4-[4-(2-methylpropyl)phenyl]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.