![methyl 3-[3-[3-[(2-methoxycarbonylthiophen-3-yl)amino]-3-oxopropyl]sulfanylpropanoylamino]thiophene-2-carboxylate structure](/static/products/5484/548441-02-7.webp)
methyl 3-[3-[3-[(2-methoxycarbonylthiophen-3-yl)amino]-3-oxopropyl]sulfanylpropanoylamino]thiophene-2-carboxylate
TL;DR: methyl 3-[3-[3-[(2-methoxycarbonylthiophen-3-yl)amino]-3-oxopropyl]sulfanylpropanoylamino]thiophene-2-carboxylate (CAS 548441-02-7) is a chemical compound with molecular formula C18H20N2O6S3 and molecular weight 456.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[3-[3-[(2-methoxycarbonylthiophen-3-yl)amino]-3-oxopropyl]sulfanylpropanoylamino]thiophene-2-carboxylate
Also Known As: methyl 3-[3-[3-[(2-methoxycarbonylthiophen-3-yl)amino]-3-oxopropyl]sulfanylpropanoylamino]thiophene-2-carboxylate, methyl 3-({3-[(3-{[2-(methoxycarbonyl)-3-thienyl]amino}-3-oxopropyl)sulfanyl]propanoyl}amino)-2-thiophenecarboxylate, dimethyl 3,3'-{sulfanediylbis[(1-oxopropane-3,1-diyl)imino]}dithiophene-2-carboxylate, methyl 3-[3-(2-{N-[2-(methoxycarbonyl)-3-thienyl]carbamoyl}ethylthio)propanoyl amino]thiophene-2-carboxylate
| Molecular Formula | C18H20N2O6S3 |
|---|---|
| Molecular Weight | 456.05 g/mol |
| LogP | 3.4734 |
| Topological Polar Surface Area | 110.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 456.04834 |
| Heavy Atoms | 29 |
| Complexity | 806.33325 |
Chemical Identifiers
| CAS Number | 548441-02-7 |
|---|---|
| SMILES | COC(=O)C1=C(C=CS1)NC(=O)CCSCCC(=O)NC2=C(SC=C2)C(=O)OC |
Product Overview
methyl 3-[3-[3-[(2-methoxycarbonylthiophen-3-yl)amino]-3-oxopropyl]sulfanylpropanoylamino]thiophene-2-carboxylate (CAS 548441-02-7), with molecular formula C18H20N2O6S3 and molecular weight 456.05 g/mol. IUPAC: methyl 3-[3-[3-[(2-methoxycarbonylthiophen-3-yl)amino]-3-oxopropyl]sulfanylpropanoylamino]thiophene-2-carboxylate.
Chemical Property Profile of methyl 3-[3-[3-[(2-methoxycarbonylthiophen-3-yl)amino]-3-oxopropyl]sulfanylpropanoylamino]thiophene-2-carboxylate
Property Insights of methyl 3-[3-[3-[(2-methoxycarbonylthiophen-3-yl)amino]-3-oxopropyl]sulfanylpropanoylamino]thiophene-2-carboxylate
The XLogP value of 3.4734 indicates that methyl 3-[3-[3-[(2-methoxycarbonylthiophen-3-yl)amino]-3-oxopropyl]sulfanylpropanoylamino]thiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.8 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-[3-[3-[(2-methoxycarbonylthiophen-3-yl)amino]-3-oxopropyl]sulfanylpropanoylamino]thiophene-2-carboxylate. Following Lipinski's Rule of Five, methyl 3-[3-[3-[(2-methoxycarbonylthiophen-3-yl)amino]-3-oxopropyl]sulfanylpropanoylamino]thiophene-2-carboxylate has 2 hydrogen bond donor(s) and 9 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 methyl 3-[3-[3-[(2-methoxycarbonylthiophen-3-yl)amino]-3-oxopropyl]sulfanylpropanoylamino]thiophene-2-carboxylate?
The CAS number of methyl 3-[3-[3-[(2-methoxycarbonylthiophen-3-yl)amino]-3-oxopropyl]sulfanylpropanoylamino]thiophene-2-carboxylate is 548441-02-7.
What is the molecular formula of methyl 3-[3-[3-[(2-methoxycarbonylthiophen-3-yl)amino]-3-oxopropyl]sulfanylpropanoylamino]thiophene-2-carboxylate?
The molecular formula of methyl 3-[3-[3-[(2-methoxycarbonylthiophen-3-yl)amino]-3-oxopropyl]sulfanylpropanoylamino]thiophene-2-carboxylate is C18H20N2O6S3.
What is the molecular weight of methyl 3-[3-[3-[(2-methoxycarbonylthiophen-3-yl)amino]-3-oxopropyl]sulfanylpropanoylamino]thiophene-2-carboxylate?
The molecular weight of methyl 3-[3-[3-[(2-methoxycarbonylthiophen-3-yl)amino]-3-oxopropyl]sulfanylpropanoylamino]thiophene-2-carboxylate is 456.05 g/mol.
Where can I buy methyl 3-[3-[3-[(2-methoxycarbonylthiophen-3-yl)amino]-3-oxopropyl]sulfanylpropanoylamino]thiophene-2-carboxylate?
You can request a quote for methyl 3-[3-[3-[(2-methoxycarbonylthiophen-3-yl)amino]-3-oxopropyl]sulfanylpropanoylamino]thiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-[3-[3-[(2-methoxycarbonylthiophen-3-yl)amino]-3-oxopropyl]sulfanylpropanoylamino]thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-[3-[3-[(2-methoxycarbonylthiophen-3-yl)amino]-3-oxopropyl]sulfanylpropanoylamino]thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.