ChemDiv2_006463
TL;DR: ChemDiv2_006463 (CAS 958548-79-3) is a chemical compound with molecular formula C25H27N7O4S and molecular weight 521.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-8,9-dimethoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
Also Known As: ChemDiv2_006463, IDI1_005178, 2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-[(furan-2-yl)methyl]acetamide, F3407-1830, 2-[[2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-8,9-dimethoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
| Molecular Formula | C25H27N7O4S |
|---|---|
| Molecular Weight | 521.18 g/mol |
| LogP | 3.35224 |
| Topological Polar Surface Area | 121.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 521.1845 |
| Heavy Atoms | 37 |
| Complexity | 1558.8702 |
Chemical Identifiers
| CAS Number | 958548-79-3 |
|---|---|
| SMILES | CC1=CC(=NN1CCC2=NN3C(=N2)C4=CC(=C(C=C4N=C3SCC(=O)NCC5=CC=CO5)OC)OC)C |
Product Overview
ChemDiv2_006463 (CAS 958548-79-3), with molecular formula C25H27N7O4S and molecular weight 521.18 g/mol. IUPAC: 2-[[2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-8,9-dimethoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide.
Chemical Property Profile of ChemDiv2_006463
Property Insights of ChemDiv2_006463
The XLogP value of 3.35224 indicates that ChemDiv2_006463 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.6 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_006463. Following Lipinski's Rule of Five, ChemDiv2_006463 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv2_006463?
The CAS number of ChemDiv2_006463 is 958548-79-3.
What is the molecular formula of ChemDiv2_006463?
The molecular formula of ChemDiv2_006463 is C25H27N7O4S.
What is the molecular weight of ChemDiv2_006463?
The molecular weight of ChemDiv2_006463 is 521.18 g/mol.
Where can I buy ChemDiv2_006463?
You can request a quote for ChemDiv2_006463 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_006463?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_006463 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.