ChemDiv1_020564
TL;DR: ChemDiv1_020564 (CAS 313393-29-2) is a chemical compound with molecular formula C24H26N2O4S and molecular weight 438.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 6-methyl-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ChemDiv1_020564, propyl 6-methyl-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, propyl 6-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, PROPYL 6-METHYL-2-(5-METHYL-3-PHENYL-1,2-OXAZOLE-4-AMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, propyl 6-methyl-2-[(5-methyl-3-phenylisoxazol-4-yl)carbonylamino]-4,5,6,7-tetr ahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C24H26N2O4S |
|---|---|
| Molecular Weight | 438.16 g/mol |
| LogP | 5.65542 |
| Topological Polar Surface Area | 81.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 438.16132 |
| Heavy Atoms | 31 |
| Complexity | 1100.4847 |
Chemical Identifiers
| CAS Number | 313393-29-2 |
|---|---|
| SMILES | CCCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3=C(ON=C3C4=CC=CC=C4)C |
Product Overview
ChemDiv1_020564 (CAS 313393-29-2), with molecular formula C24H26N2O4S and molecular weight 438.16 g/mol. IUPAC: propyl 6-methyl-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of ChemDiv1_020564
Property Insights of ChemDiv1_020564
The XLogP value of 5.65542 indicates that ChemDiv1_020564 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_020564. Following Lipinski's Rule of Five, ChemDiv1_020564 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_020564?
The CAS number of ChemDiv1_020564 is 313393-29-2.
What is the molecular formula of ChemDiv1_020564?
The molecular formula of ChemDiv1_020564 is C24H26N2O4S.
What is the molecular weight of ChemDiv1_020564?
The molecular weight of ChemDiv1_020564 is 438.16 g/mol.
Where can I buy ChemDiv1_020564?
You can request a quote for ChemDiv1_020564 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_020564?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_020564 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.