ChemDiv3_015124
TL;DR: ChemDiv3_015124 (CAS 727385-80-0) is a chemical compound with molecular formula C14H15N3O3S2 and molecular weight 337.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-6-[(4-methylphenyl)sulfonylmethyl]-6,7-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one
Also Known As: ChemDiv3_015124, BAS 10848658, AP-853/43261171, 3-methyl-6-{[(4-methylphenyl)sulfonyl]methyl}-6,7-dihydro-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one, 3-methyl-6-[(4-methylphenyl)sulfonylmethyl]-6,7-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one
| Molecular Formula | C14H15N3O3S2 |
|---|---|
| Molecular Weight | 337.06 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.05548 |
| Heavy Atoms | 22 |
| Complexity | 628.0 |
Chemical Identifiers
| CAS Number | 727385-80-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)CC2CSC3=NN=C(C(=O)N23)C |
| InChIKey | ZIFBRVPEBZOERC-UHFFFAOYSA-N |
Product Overview
ChemDiv3_015124 (CAS 727385-80-0), with molecular formula C14H15N3O3S2 and molecular weight 337.06 g/mol. IUPAC: 3-methyl-6-[(4-methylphenyl)sulfonylmethyl]-6,7-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one.
Chemical Property Profile of ChemDiv3_015124
Property Insights of ChemDiv3_015124
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_015124. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_015124. Following Lipinski's Rule of Five, ChemDiv3_015124 has 0 hydrogen bond donor(s) and 6 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 ChemDiv3_015124?
The CAS number of ChemDiv3_015124 is 727385-80-0.
What is the molecular formula of ChemDiv3_015124?
The molecular formula of ChemDiv3_015124 is C14H15N3O3S2.
What is the molecular weight of ChemDiv3_015124?
The molecular weight of ChemDiv3_015124 is 337.06 g/mol.
Where can I buy ChemDiv3_015124?
You can request a quote for ChemDiv3_015124 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_015124?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_015124 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.