![2-O-methyl 4-O-propan-2-yl 5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate structure](/static/products/4450/445004-63-7.webp)
2-O-methyl 4-O-propan-2-yl 5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
TL;DR: 2-O-methyl 4-O-propan-2-yl 5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate (CAS 445004-63-7) is a chemical compound with molecular formula C18H18ClNO5S and molecular weight 395.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-O-methyl 4-O-propan-2-yl 5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
Also Known As: 2-O-methyl 4-O-propan-2-yl 5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate, 4-isopropyl 2-methyl 5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate, 4-ISOPROPYL 2-METHYL 5-(2-CHLOROBENZAMIDO)-3-METHYLTHIOPHENE-2,4-DICARBOXYLATE, 2-methyl 4-propan-2-yl 5-{[(2-chlorophenyl)carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate, methyl 5-[(2-chlorophenyl)carbonylamino]-3-methyl-4-[(methylethyl)oxycarbonyl] thiophene-2-carboxylate
| Molecular Formula | C18H18ClNO5S |
|---|---|
| Molecular Weight | 395.06 g/mol |
| LogP | 4.31402 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 395.05942 |
| Heavy Atoms | 26 |
| Complexity | 859.2615 |
Chemical Identifiers
| CAS Number | 445004-63-7 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C2=CC=CC=C2Cl)C(=O)OC |
Product Overview
2-O-methyl 4-O-propan-2-yl 5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate (CAS 445004-63-7), with molecular formula C18H18ClNO5S and molecular weight 395.06 g/mol. IUPAC: 2-O-methyl 4-O-propan-2-yl 5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of 2-O-methyl 4-O-propan-2-yl 5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
Property Insights of 2-O-methyl 4-O-propan-2-yl 5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
The XLogP value of 4.31402 indicates that 2-O-methyl 4-O-propan-2-yl 5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-O-methyl 4-O-propan-2-yl 5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate. Following Lipinski's Rule of Five, 2-O-methyl 4-O-propan-2-yl 5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate has 1 hydrogen bond donor(s) and 6 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 2-O-methyl 4-O-propan-2-yl 5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate?
The CAS number of 2-O-methyl 4-O-propan-2-yl 5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate is 445004-63-7.
What is the molecular formula of 2-O-methyl 4-O-propan-2-yl 5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate?
The molecular formula of 2-O-methyl 4-O-propan-2-yl 5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate is C18H18ClNO5S.
What is the molecular weight of 2-O-methyl 4-O-propan-2-yl 5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate?
The molecular weight of 2-O-methyl 4-O-propan-2-yl 5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate is 395.06 g/mol.
Where can I buy 2-O-methyl 4-O-propan-2-yl 5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate?
You can request a quote for 2-O-methyl 4-O-propan-2-yl 5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-O-methyl 4-O-propan-2-yl 5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-O-methyl 4-O-propan-2-yl 5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.