ChemDiv1_020425
TL;DR: ChemDiv1_020425 (CAS 328540-81-4) is a chemical compound with molecular formula C20H21BrN2O5S and molecular weight 480.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[(2-bromobenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
Also Known As: ChemDiv1_020425, BAS 00832148, F1298-0220, diethyl 2-(2-bromobenzamido)-4,5-dihydrothieno[2,3-c]pyridine-3,6(7H)-dicarboxylate, diethyl 2-[(2-bromobenzoyl)amino]-4,7-dihydrothieno[2,3-c]pyridine-3,6(5H)-dicarboxylate
| Molecular Formula | C20H21BrN2O5S |
|---|---|
| Molecular Weight | 480.04 g/mol |
| LogP | 4.4542 |
| Topological Polar Surface Area | 84.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 480.03546 |
| Heavy Atoms | 29 |
| Complexity | 942.94794 |
Chemical Identifiers
| CAS Number | 328540-81-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCN(C2)C(=O)OCC)NC(=O)C3=CC=CC=C3Br |
Product Overview
ChemDiv1_020425 (CAS 328540-81-4), with molecular formula C20H21BrN2O5S and molecular weight 480.04 g/mol. IUPAC: diethyl 2-[(2-bromobenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate.
Chemical Property Profile of ChemDiv1_020425
Property Insights of ChemDiv1_020425
The XLogP value of 4.4542 indicates that ChemDiv1_020425 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.94 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_020425. Following Lipinski's Rule of Five, ChemDiv1_020425 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 ChemDiv1_020425?
The CAS number of ChemDiv1_020425 is 328540-81-4.
What is the molecular formula of ChemDiv1_020425?
The molecular formula of ChemDiv1_020425 is C20H21BrN2O5S.
What is the molecular weight of ChemDiv1_020425?
The molecular weight of ChemDiv1_020425 is 480.04 g/mol.
Where can I buy ChemDiv1_020425?
You can request a quote for ChemDiv1_020425 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_020425?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_020425 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.