ChemDiv1_023291
TL;DR: ChemDiv1_023291 (CAS 301680-88-6) is a chemical compound with molecular formula C22H21ClN2O4S and molecular weight 444.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ChemDiv1_023291, BAS 00843124, BIM-0035229.P001, ETHYL 2-((3-(2-CHLOROPHENYL)-5-METHYLISOXAZOL-4-YL)CARBONYLAMINO)-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXYLATE, Ethyl 2-(3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C22H21ClN2O4S |
|---|---|
| Molecular Weight | 444.09 g/mol |
| LogP | 5.67272 |
| Topological Polar Surface Area | 81.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 444.09106 |
| Heavy Atoms | 30 |
| Complexity | 1118.5381 |
Chemical Identifiers
| CAS Number | 301680-88-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(ON=C3C4=CC=CC=C4Cl)C |
Product Overview
ChemDiv1_023291 (CAS 301680-88-6), with molecular formula C22H21ClN2O4S and molecular weight 444.09 g/mol. IUPAC: ethyl 2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of ChemDiv1_023291
Property Insights of ChemDiv1_023291
The XLogP value of 5.67272 indicates that ChemDiv1_023291 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.43 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_023291. Following Lipinski's Rule of Five, ChemDiv1_023291 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_023291?
The CAS number of ChemDiv1_023291 is 301680-88-6.
What is the molecular formula of ChemDiv1_023291?
The molecular formula of ChemDiv1_023291 is C22H21ClN2O4S.
What is the molecular weight of ChemDiv1_023291?
The molecular weight of ChemDiv1_023291 is 444.09 g/mol.
Where can I buy ChemDiv1_023291?
You can request a quote for ChemDiv1_023291 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_023291?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_023291 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.