ChemDiv1_020483
TL;DR: ChemDiv1_020483 (CAS 223423-36-7) is a chemical compound with molecular formula C21H21NO2S and molecular weight 351.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-methyl-4-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-3-carboxylate
Also Known As: ChemDiv1_020483, BAS 00600302, ethyl 2-methyl-4-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-b]pyridine-3-carboxylate, AH-262/34642041, Ethyl 2-methyl-4-phenyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-b]pyridine-3-carboxylate
| Molecular Formula | C21H21NO2S |
|---|---|
| Molecular Weight | 351.13 g/mol |
| LogP | 5.32722 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 351.1293 |
| Heavy Atoms | 25 |
| Complexity | 943.6796 |
Chemical Identifiers
| CAS Number | 223423-36-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2C(=C1C3=CC=CC=C3)C4=C(S2)CCCC4)C |
Product Overview
ChemDiv1_020483 (CAS 223423-36-7), with molecular formula C21H21NO2S and molecular weight 351.13 g/mol. IUPAC: ethyl 2-methyl-4-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-3-carboxylate.
Chemical Property Profile of ChemDiv1_020483
Property Insights of ChemDiv1_020483
The XLogP value of 5.32722 indicates that ChemDiv1_020483 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.19 Ų, ChemDiv1_020483 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_020483 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_020483?
The CAS number of ChemDiv1_020483 is 223423-36-7.
What is the molecular formula of ChemDiv1_020483?
The molecular formula of ChemDiv1_020483 is C21H21NO2S.
What is the molecular weight of ChemDiv1_020483?
The molecular weight of ChemDiv1_020483 is 351.13 g/mol.
Where can I buy ChemDiv1_020483?
You can request a quote for ChemDiv1_020483 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_020483?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_020483 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.