BAS 09687640
TL;DR: BAS 09687640 (CAS 720671-53-4) is a chemical compound with molecular formula C22H20N2O3S and molecular weight 392.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-N-[5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-oxo-4H-isochromene-3-carboxamide
Also Known As: BAS 09687640, 3-methyl-N-[5-(2-methylbenzyl)-1,3-thiazol-2-yl]-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide, AF-399/42796720, 3-methyl-N-(5-(2-methylbenzyl)thiazol-2-yl)-1-oxoisochroman-3-carboxamide, BRD-A27796286-001-01-2
| Molecular Formula | C22H20N2O3S |
|---|---|
| Molecular Weight | 392.12 g/mol |
| LogP | 4.15262 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 392.11948 |
| Heavy Atoms | 28 |
| Complexity | 1059.1952 |
Chemical Identifiers
| CAS Number | 720671-53-4 |
|---|---|
| SMILES | CC1=CC=CC=C1CC2=CN=C(S2)NC(=O)C3(CC4=CC=CC=C4C(=O)O3)C |
Product Overview
BAS 09687640 (CAS 720671-53-4), with molecular formula C22H20N2O3S and molecular weight 392.12 g/mol. IUPAC: 3-methyl-N-[5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-oxo-4H-isochromene-3-carboxamide.
Chemical Property Profile of BAS 09687640
Property Insights of BAS 09687640
The XLogP value of 4.15262 indicates that BAS 09687640 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 09687640. Following Lipinski's Rule of Five, BAS 09687640 has 1 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 BAS 09687640?
The CAS number of BAS 09687640 is 720671-53-4.
What is the molecular formula of BAS 09687640?
The molecular formula of BAS 09687640 is C22H20N2O3S.
What is the molecular weight of BAS 09687640?
The molecular weight of BAS 09687640 is 392.12 g/mol.
Where can I buy BAS 09687640?
You can request a quote for BAS 09687640 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 09687640?
Yes, KEHONG BIO provides custom synthesis services for BAS 09687640 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.