ChemDiv3_001339
TL;DR: ChemDiv3_001339 (CAS 301694-36-0) is a chemical compound with molecular formula C21H19ClN2O4S and molecular weight 430.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ChemDiv3_001339, IDI1_020305, AB01287542-01, methyl 2-({[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C21H19ClN2O4S |
|---|---|
| Molecular Weight | 430.08 g/mol |
| LogP | 5.28262 |
| Topological Polar Surface Area | 81.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 430.0754 |
| Heavy Atoms | 29 |
| Complexity | 1102.294 |
Chemical Identifiers
| CAS Number | 301694-36-0 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC |
Product Overview
ChemDiv3_001339 (CAS 301694-36-0), with molecular formula C21H19ClN2O4S and molecular weight 430.08 g/mol. IUPAC: methyl 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 ChemDiv3_001339
Property Insights of ChemDiv3_001339
The XLogP value of 5.28262 indicates that ChemDiv3_001339 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 ChemDiv3_001339. Following Lipinski's Rule of Five, ChemDiv3_001339 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 ChemDiv3_001339?
The CAS number of ChemDiv3_001339 is 301694-36-0.
What is the molecular formula of ChemDiv3_001339?
The molecular formula of ChemDiv3_001339 is C21H19ClN2O4S.
What is the molecular weight of ChemDiv3_001339?
The molecular weight of ChemDiv3_001339 is 430.08 g/mol.
Where can I buy ChemDiv3_001339?
You can request a quote for ChemDiv3_001339 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_001339?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_001339 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.