ChemDiv3_010674
TL;DR: ChemDiv3_010674 (CAS 852376-05-7) is a chemical compound with molecular formula C16H16N4O2S and molecular weight 328.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]butanoic acid
Also Known As: ChemDiv3_010674, IDI1_028232, AB00672066-01, 2-{[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}butanoic acid, BRD-A37604983-001-01-2
| Molecular Formula | C16H16N4O2S |
|---|---|
| Molecular Weight | 328.10 g/mol |
| LogP | 3.05502 |
| Topological Polar Surface Area | 80.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 328.0994 |
| Heavy Atoms | 23 |
| Complexity | 844.9125 |
Chemical Identifiers
| CAS Number | 852376-05-7 |
|---|---|
| SMILES | CCC(C(=O)O)SC1=NN2C(=NN=C2C3=CC=C(C=C3)C)C=C1 |
Product Overview
ChemDiv3_010674 (CAS 852376-05-7), with molecular formula C16H16N4O2S and molecular weight 328.10 g/mol. IUPAC: 2-[[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]butanoic acid.
Chemical Property Profile of ChemDiv3_010674
Property Insights of ChemDiv3_010674
The XLogP value of 3.05502 indicates that ChemDiv3_010674 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.38 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_010674. Following Lipinski's Rule of Five, ChemDiv3_010674 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 ChemDiv3_010674?
The CAS number of ChemDiv3_010674 is 852376-05-7.
What is the molecular formula of ChemDiv3_010674?
The molecular formula of ChemDiv3_010674 is C16H16N4O2S.
What is the molecular weight of ChemDiv3_010674?
The molecular weight of ChemDiv3_010674 is 328.10 g/mol.
Where can I buy ChemDiv3_010674?
You can request a quote for ChemDiv3_010674 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_010674?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_010674 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.