ChemDiv3_011328
TL;DR: ChemDiv3_011328 (CAS 863458-29-1) is a chemical compound with molecular formula C20H16FN5O2S and molecular weight 409.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-[3-[(4-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetate
Also Known As: ChemDiv3_011328, IDI1_028886, F0682-0324, BRD-K01225634-001-01-9, benzyl 2-((3-(4-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)acetate
| Molecular Formula | C20H16FN5O2S |
|---|---|
| Molecular Weight | 409.10 g/mol |
| LogP | 3.2442 |
| Topological Polar Surface Area | 82.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 409.10086 |
| Heavy Atoms | 29 |
| Complexity | 1118.8967 |
Chemical Identifiers
| CAS Number | 863458-29-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)CSC2=NC=NC3=C2N=NN3CC4=CC=C(C=C4)F |
Product Overview
ChemDiv3_011328 (CAS 863458-29-1), with molecular formula C20H16FN5O2S and molecular weight 409.10 g/mol. IUPAC: benzyl 2-[3-[(4-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetate.
Chemical Property Profile of ChemDiv3_011328
Property Insights of ChemDiv3_011328
The XLogP value of 3.2442 indicates that ChemDiv3_011328 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.79 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_011328. Following Lipinski's Rule of Five, ChemDiv3_011328 has 0 hydrogen bond donor(s) and 7 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_011328?
The CAS number of ChemDiv3_011328 is 863458-29-1.
What is the molecular formula of ChemDiv3_011328?
The molecular formula of ChemDiv3_011328 is C20H16FN5O2S.
What is the molecular weight of ChemDiv3_011328?
The molecular weight of ChemDiv3_011328 is 409.10 g/mol.
Where can I buy ChemDiv3_011328?
You can request a quote for ChemDiv3_011328 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_011328?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_011328 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.