ChemDiv3_005776
TL;DR: ChemDiv3_005776 (CAS 620100-84-7) is a chemical compound with molecular formula C18H15N5OS and molecular weight 349.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[6-(4-methoxyphenyl)-6H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-5-yl]methyl]benzonitrile
Also Known As: ChemDiv3_005776, IDI1_023686, BRD-A15665170-001-01-2, 4-{[6-(4-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-5(6H)-yl]methyl}benzonitrile, 4-((6-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-5(6H)-yl)methyl)benzonitrile
| Molecular Formula | C18H15N5OS |
|---|---|
| Molecular Weight | 349.10 g/mol |
| LogP | 3.10108 |
| Topological Polar Surface Area | 66.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 349.09973 |
| Heavy Atoms | 25 |
| Complexity | 913.8895 |
Chemical Identifiers
| CAS Number | 620100-84-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2N(N3C=NN=C3S2)CC4=CC=C(C=C4)C#N |
Product Overview
ChemDiv3_005776 (CAS 620100-84-7), with molecular formula C18H15N5OS and molecular weight 349.10 g/mol. IUPAC: 4-[[6-(4-methoxyphenyl)-6H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-5-yl]methyl]benzonitrile.
Chemical Property Profile of ChemDiv3_005776
Property Insights of ChemDiv3_005776
The XLogP value of 3.10108 indicates that ChemDiv3_005776 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.97 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_005776. Following Lipinski's Rule of Five, ChemDiv3_005776 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_005776?
The CAS number of ChemDiv3_005776 is 620100-84-7.
What is the molecular formula of ChemDiv3_005776?
The molecular formula of ChemDiv3_005776 is C18H15N5OS.
What is the molecular weight of ChemDiv3_005776?
The molecular weight of ChemDiv3_005776 is 349.10 g/mol.
Where can I buy ChemDiv3_005776?
You can request a quote for ChemDiv3_005776 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_005776?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_005776 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.