ChemDiv3_011458
TL;DR: ChemDiv3_011458 (CAS 863452-98-6) is a chemical compound with molecular formula C23H24N6O3S and molecular weight 464.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
Also Known As: ChemDiv3_011458, IDI1_029016, BRD-K77207291-001-01-0, F0682-0067, 2-((3-benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)-N-(3,4-dimethoxyphenethyl)acetamide
| Molecular Formula | C23H24N6O3S |
|---|---|
| Molecular Weight | 464.16 g/mol |
| LogP | 2.7378 |
| Topological Polar Surface Area | 104.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 464.16306 |
| Heavy Atoms | 33 |
| Complexity | 1231.5891 |
Chemical Identifiers
| CAS Number | 863452-98-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC=NC3=C2N=NN3CC4=CC=CC=C4)OC |
Product Overview
ChemDiv3_011458 (CAS 863452-98-6), with molecular formula C23H24N6O3S and molecular weight 464.16 g/mol. IUPAC: 2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.
Chemical Property Profile of ChemDiv3_011458
Property Insights of ChemDiv3_011458
The XLogP value of 2.7378 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_011458. The TPSA of 104.05 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_011458. Following Lipinski's Rule of Five, ChemDiv3_011458 has 1 hydrogen bond donor(s) and 8 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_011458?
The CAS number of ChemDiv3_011458 is 863452-98-6.
What is the molecular formula of ChemDiv3_011458?
The molecular formula of ChemDiv3_011458 is C23H24N6O3S.
What is the molecular weight of ChemDiv3_011458?
The molecular weight of ChemDiv3_011458 is 464.16 g/mol.
Where can I buy ChemDiv3_011458?
You can request a quote for ChemDiv3_011458 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_011458?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_011458 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.