ChemDiv1_010274
TL;DR: ChemDiv1_010274 (CAS 332884-18-1) is a chemical compound with molecular formula C21H22ClNO4S and molecular weight 419.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-chloro-6-[(dimethylamino)methyl]-5-hydroxy-2-(phenylsulfanylmethyl)-1-benzofuran-3-carboxylate
Also Known As: ChemDiv1_010274, BAS 02098835, ethyl 4-chloro-6-[(dimethylamino)methyl]-5-hydroxy-2-[(phenylsulfanyl)methyl]-1-benzofuran-3-carboxylate, ethyl 4-chloro-6-((dimethylamino)methyl)-5-hydroxy-2-((phenylthio)methyl)benzofuran-3-carboxylate, ethyl 4-chloro-6-(dimethylaminomethyl)-5-hydroxy-2-(phenylsulfanylmethyl)-1-benzofuran-3-carboxylate
| Molecular Formula | C21H22ClNO4S |
|---|---|
| Molecular Weight | 419.10 g/mol |
| LogP | 5.3224 |
| Topological Polar Surface Area | 62.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 419.0958 |
| Heavy Atoms | 28 |
| Complexity | 985.22943 |
Chemical Identifiers
| CAS Number | 332884-18-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C1C(=C(C(=C2)CN(C)C)O)Cl)CSC3=CC=CC=C3 |
Product Overview
ChemDiv1_010274 (CAS 332884-18-1), with molecular formula C21H22ClNO4S and molecular weight 419.10 g/mol. IUPAC: ethyl 4-chloro-6-[(dimethylamino)methyl]-5-hydroxy-2-(phenylsulfanylmethyl)-1-benzofuran-3-carboxylate.
Chemical Property Profile of ChemDiv1_010274
Property Insights of ChemDiv1_010274
The XLogP value of 5.3224 indicates that ChemDiv1_010274 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.91 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_010274. Following Lipinski's Rule of Five, ChemDiv1_010274 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_010274?
The CAS number of ChemDiv1_010274 is 332884-18-1.
What is the molecular formula of ChemDiv1_010274?
The molecular formula of ChemDiv1_010274 is C21H22ClNO4S.
What is the molecular weight of ChemDiv1_010274?
The molecular weight of ChemDiv1_010274 is 419.10 g/mol.
Where can I buy ChemDiv1_010274?
You can request a quote for ChemDiv1_010274 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010274?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010274 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.