ChemDiv1_003027
TL;DR: ChemDiv1_003027 (CAS 312586-20-2) is a chemical compound with molecular formula C26H26N2O7S and molecular weight 510.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[(4-ethoxycarbonylphenyl)carbamoyl]-2-[(4-methoxybenzoyl)amino]-4-methylthiophene-3-carboxylate
Also Known As: ChemDiv1_003027, BAS 00745146, ethyl 5-[(4-ethoxycarbonylphenyl)carbamoyl]-2-[(4-methoxybenzoyl)amino]-4-methylthiophene-3-carboxylate, ethyl 5-{[4-(ethoxycarbonyl)anilino]carbonyl}-2-[(4-methoxybenzoyl)amino]-4-methyl-3-thiophenecarboxylate, ETHYL 5-{[4-(ETHOXYCARBONYL)PHENYL]CARBAMOYL}-2-(4-METHOXYBENZAMIDO)-4-METHYLTHIOPHENE-3-CARBOXYLATE
| Molecular Formula | C26H26N2O7S |
|---|---|
| Molecular Weight | 510.15 g/mol |
| LogP | 4.92312 |
| Topological Polar Surface Area | 120.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 510.14606 |
| Heavy Atoms | 36 |
| Complexity | 1264.6948 |
Chemical Identifiers
| CAS Number | 312586-20-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C(=C(S2)NC(=O)C3=CC=C(C=C3)OC)C(=O)OCC)C |
Product Overview
ChemDiv1_003027 (CAS 312586-20-2), with molecular formula C26H26N2O7S and molecular weight 510.15 g/mol. IUPAC: ethyl 5-[(4-ethoxycarbonylphenyl)carbamoyl]-2-[(4-methoxybenzoyl)amino]-4-methylthiophene-3-carboxylate.
Chemical Property Profile of ChemDiv1_003027
Property Insights of ChemDiv1_003027
The XLogP value of 4.92312 indicates that ChemDiv1_003027 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.03 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003027. Following Lipinski's Rule of Five, ChemDiv1_003027 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_003027?
The CAS number of ChemDiv1_003027 is 312586-20-2.
What is the molecular formula of ChemDiv1_003027?
The molecular formula of ChemDiv1_003027 is C26H26N2O7S.
What is the molecular weight of ChemDiv1_003027?
The molecular weight of ChemDiv1_003027 is 510.15 g/mol.
Where can I buy ChemDiv1_003027?
You can request a quote for ChemDiv1_003027 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003027?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003027 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.