ChemDiv1_003888
TL;DR: ChemDiv1_003888 (CAS 312698-07-0) is a chemical compound with molecular formula C27H28N2O7S and molecular weight 524.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[(2-ethoxycarbonylphenyl)carbamoyl]-2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxylate
Also Known As: ChemDiv1_003888, BIM-0002191.P001, A2439/0103362, ETHYL 5-{[2-(ETHOXYCARBONYL)PHENYL]CARBAMOYL}-2-[2-(4-METHOXYPHENYL)ACETAMIDO]-4-METHYLTHIOPHENE-3-CARBOXYLATE, ethyl 2-({4-(ethoxycarbonyl)-5-[2-(4-methoxyphenyl)acetylamino]-3-methyl-2-thi enyl}carbonylamino)benzoate
| Molecular Formula | C27H28N2O7S |
|---|---|
| Molecular Weight | 524.16 g/mol |
| LogP | 4.85202 |
| Topological Polar Surface Area | 120.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 524.16174 |
| Heavy Atoms | 37 |
| Complexity | 1298.5835 |
Chemical Identifiers
| CAS Number | 312698-07-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1NC(=O)C2=C(C(=C(S2)NC(=O)CC3=CC=C(C=C3)OC)C(=O)OCC)C |
Product Overview
ChemDiv1_003888 (CAS 312698-07-0), with molecular formula C27H28N2O7S and molecular weight 524.16 g/mol. IUPAC: ethyl 5-[(2-ethoxycarbonylphenyl)carbamoyl]-2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxylate.
Chemical Property Profile of ChemDiv1_003888
Property Insights of ChemDiv1_003888
The XLogP value of 4.85202 indicates that ChemDiv1_003888 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_003888. Following Lipinski's Rule of Five, ChemDiv1_003888 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_003888?
The CAS number of ChemDiv1_003888 is 312698-07-0.
What is the molecular formula of ChemDiv1_003888?
The molecular formula of ChemDiv1_003888 is C27H28N2O7S.
What is the molecular weight of ChemDiv1_003888?
The molecular weight of ChemDiv1_003888 is 524.16 g/mol.
Where can I buy ChemDiv1_003888?
You can request a quote for ChemDiv1_003888 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003888?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003888 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.