MixCom6_001647
TL;DR: MixCom6_001647 (CAS 325693-07-0) is a chemical compound with molecular formula C31H26N6O3S and molecular weight 562.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-2-ylmethyl)acetamide
Also Known As: MixCom6_001647, ChemDiv1_004680, BIM-0031208.P001, F0723-0025, 2-((5-(3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(pyridin-2-ylmethyl)acetamide
| Molecular Formula | C31H26N6O3S |
|---|---|
| Molecular Weight | 562.18 g/mol |
| LogP | 4.4528 |
| Topological Polar Surface Area | 110.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 562.1787 |
| Heavy Atoms | 41 |
| Complexity | 1688.6606 |
Chemical Identifiers
| CAS Number | 325693-07-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCC3=CC=CC=N3)CCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O |
Product Overview
MixCom6_001647 (CAS 325693-07-0), with molecular formula C31H26N6O3S and molecular weight 562.18 g/mol. IUPAC: 2-[[5-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-2-ylmethyl)acetamide.
Chemical Property Profile of MixCom6_001647
Property Insights of MixCom6_001647
The XLogP value of 4.4528 indicates that MixCom6_001647 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.08 Ų falls within the moderate polarity range, balancing permeability and solubility for MixCom6_001647. Following Lipinski's Rule of Five, MixCom6_001647 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of MixCom6_001647?
The CAS number of MixCom6_001647 is 325693-07-0.
What is the molecular formula of MixCom6_001647?
The molecular formula of MixCom6_001647 is C31H26N6O3S.
What is the molecular weight of MixCom6_001647?
The molecular weight of MixCom6_001647 is 562.18 g/mol.
Where can I buy MixCom6_001647?
You can request a quote for MixCom6_001647 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MixCom6_001647?
Yes, KEHONG BIO provides custom synthesis services for MixCom6_001647 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.