ChemDiv2_006419
TL;DR: ChemDiv2_006419 (CAS 902434-08-6) is a chemical compound with molecular formula C23H21N7O2S and molecular weight 459.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[8,9-dimethoxy-2-[2-(2-methylbenzimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetonitrile
Also Known As: ChemDiv2_006419, IDI1_005134, VU0626313-1, F3407-1874, 2-({8,9-dimethoxy-2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)acetonitrile
| Molecular Formula | C23H21N7O2S |
|---|---|
| Molecular Weight | 459.15 g/mol |
| LogP | 3.8112 |
| Topological Polar Surface Area | 103.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 459.14774 |
| Heavy Atoms | 33 |
| Complexity | 1533.4758 |
Chemical Identifiers
| CAS Number | 902434-08-6 |
|---|---|
| SMILES | CC1=NC2=CC=CC=C2N1CCC3=NN4C(=N3)C5=CC(=C(C=C5N=C4SCC#N)OC)OC |
Product Overview
ChemDiv2_006419 (CAS 902434-08-6), with molecular formula C23H21N7O2S and molecular weight 459.15 g/mol. IUPAC: 2-[[8,9-dimethoxy-2-[2-(2-methylbenzimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetonitrile.
Chemical Property Profile of ChemDiv2_006419
Property Insights of ChemDiv2_006419
The XLogP value of 3.8112 indicates that ChemDiv2_006419 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.15 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_006419. Following Lipinski's Rule of Five, ChemDiv2_006419 has 0 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 ChemDiv2_006419?
The CAS number of ChemDiv2_006419 is 902434-08-6.
What is the molecular formula of ChemDiv2_006419?
The molecular formula of ChemDiv2_006419 is C23H21N7O2S.
What is the molecular weight of ChemDiv2_006419?
The molecular weight of ChemDiv2_006419 is 459.15 g/mol.
Where can I buy ChemDiv2_006419?
You can request a quote for ChemDiv2_006419 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_006419?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_006419 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.