ChemDiv1_020511
TL;DR: ChemDiv1_020511 (CAS 328540-60-9) is a chemical compound with molecular formula C20H21N3O7S and molecular weight 447.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[(4-nitrobenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
Also Known As: ChemDiv1_020511, BAS 00832149, BIM-0027473.P001, 3,6-diethyl 2-(4-nitrobenzamido)-4H,5H,6H,7H-thieno[2,3-c]pyridine-3,6-dicarboxylate, F1298-0213
| Molecular Formula | C20H21N3O7S |
|---|---|
| Molecular Weight | 447.11 g/mol |
| LogP | 3.5999 |
| Topological Polar Surface Area | 128.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 447.11002 |
| Heavy Atoms | 31 |
| Complexity | 1016.52594 |
Chemical Identifiers
| CAS Number | 328540-60-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCN(C2)C(=O)OCC)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
ChemDiv1_020511 (CAS 328540-60-9), with molecular formula C20H21N3O7S and molecular weight 447.11 g/mol. IUPAC: diethyl 2-[(4-nitrobenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate.
Chemical Property Profile of ChemDiv1_020511
Property Insights of ChemDiv1_020511
The XLogP value of 3.5999 indicates that ChemDiv1_020511 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.08 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_020511. Following Lipinski's Rule of Five, ChemDiv1_020511 has 1 hydrogen bond donor(s) and 8 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 ChemDiv1_020511?
The CAS number of ChemDiv1_020511 is 328540-60-9.
What is the molecular formula of ChemDiv1_020511?
The molecular formula of ChemDiv1_020511 is C20H21N3O7S.
What is the molecular weight of ChemDiv1_020511?
The molecular weight of ChemDiv1_020511 is 447.11 g/mol.
Where can I buy ChemDiv1_020511?
You can request a quote for ChemDiv1_020511 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_020511?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_020511 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.