ChemDiv1_020593
TL;DR: ChemDiv1_020593 (CAS 301680-69-3) is a chemical compound with molecular formula C20H18ClN3O3S and molecular weight 415.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
Also Known As: ChemDiv1_020593, BAS 00799369, BIM-0042422.P001, N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide, 2-{[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbonylamino}-4,5,6,7-tetrahydro benzo[b]thiophene-3-carboxamide
| Molecular Formula | C20H18ClN3O3S |
|---|---|
| Molecular Weight | 415.08 g/mol |
| LogP | 4.59492 |
| Topological Polar Surface Area | 98.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 415.07574 |
| Heavy Atoms | 28 |
| Complexity | 1086.5541 |
Chemical Identifiers
| CAS Number | 301680-69-3 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N |
Product Overview
ChemDiv1_020593 (CAS 301680-69-3), with molecular formula C20H18ClN3O3S and molecular weight 415.08 g/mol. IUPAC: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.
Chemical Property Profile of ChemDiv1_020593
Property Insights of ChemDiv1_020593
The XLogP value of 4.59492 indicates that ChemDiv1_020593 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.22 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_020593. Following Lipinski's Rule of Five, ChemDiv1_020593 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_020593?
The CAS number of ChemDiv1_020593 is 301680-69-3.
What is the molecular formula of ChemDiv1_020593?
The molecular formula of ChemDiv1_020593 is C20H18ClN3O3S.
What is the molecular weight of ChemDiv1_020593?
The molecular weight of ChemDiv1_020593 is 415.08 g/mol.
Where can I buy ChemDiv1_020593?
You can request a quote for ChemDiv1_020593 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_020593?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_020593 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.