ChemDiv1_002853
TL;DR: ChemDiv1_002853 (CAS 330950-63-5) is a chemical compound with molecular formula C28H30N2O9S and molecular weight 570.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[(4-ethoxycarbonylphenyl)carbamoyl]-4-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate
Also Known As: ChemDiv1_002853, BAS 00745269, ethyl 5-[(4-ethoxycarbonylphenyl)carbamoyl]-4-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate, ethyl 5-{[4-(ethoxycarbonyl)anilino]carbonyl}-4-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]-3-thiophenecarboxylate, ETHYL 5-{[4-(ETHOXYCARBONYL)PHENYL]CARBAMOYL}-4-METHYL-2-(3,4,5-TRIMETHOXYBENZAMIDO)THIOPHENE-3-CARBOXYLATE
| Molecular Formula | C28H30N2O9S |
|---|---|
| Molecular Weight | 570.17 g/mol |
| LogP | 4.94032 |
| Topological Polar Surface Area | 138.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 570.1672 |
| Heavy Atoms | 40 |
| Complexity | 1388.8737 |
Chemical Identifiers
| CAS Number | 330950-63-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C(=C(S2)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)OCC)C |
Product Overview
ChemDiv1_002853 (CAS 330950-63-5), with molecular formula C28H30N2O9S and molecular weight 570.17 g/mol. IUPAC: ethyl 5-[(4-ethoxycarbonylphenyl)carbamoyl]-4-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate.
Chemical Property Profile of ChemDiv1_002853
Property Insights of ChemDiv1_002853
The XLogP value of 4.94032 indicates that ChemDiv1_002853 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.49 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002853. Following Lipinski's Rule of Five, ChemDiv1_002853 has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_002853?
The CAS number of ChemDiv1_002853 is 330950-63-5.
What is the molecular formula of ChemDiv1_002853?
The molecular formula of ChemDiv1_002853 is C28H30N2O9S.
What is the molecular weight of ChemDiv1_002853?
The molecular weight of ChemDiv1_002853 is 570.17 g/mol.
Where can I buy ChemDiv1_002853?
You can request a quote for ChemDiv1_002853 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002853?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002853 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.