ChemDiv1_005275
TL;DR: ChemDiv1_005275 (CAS 315239-14-6) is a chemical compound with molecular formula C28H26N6O3S and molecular weight 526.18 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-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-3-ylmethyl)acetamide
Also Known As: ChemDiv1_005275, UPCMLD0ENAT0516-9395:001, F0829-0002, AF-399/15104023, 2-((4-allyl-5-(3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl)-4H-1,2,4-triazol-3-yl)thio)-N-(pyridin-3-ylmethyl)acetamide
| Molecular Formula | C28H26N6O3S |
|---|---|
| Molecular Weight | 526.18 g/mol |
| LogP | 3.6496 |
| Topological Polar Surface Area | 110.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 526.1787 |
| Heavy Atoms | 38 |
| Complexity | 1467.0648 |
Chemical Identifiers
| CAS Number | 315239-14-6 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)NCC2=CN=CC=C2)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O |
Product Overview
ChemDiv1_005275 (CAS 315239-14-6), with molecular formula C28H26N6O3S and molecular weight 526.18 g/mol. IUPAC: 2-[[5-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-3-ylmethyl)acetamide.
Chemical Property Profile of ChemDiv1_005275
Property Insights of ChemDiv1_005275
The XLogP value of 3.6496 indicates that ChemDiv1_005275 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 ChemDiv1_005275. Following Lipinski's Rule of Five, ChemDiv1_005275 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 ChemDiv1_005275?
The CAS number of ChemDiv1_005275 is 315239-14-6.
What is the molecular formula of ChemDiv1_005275?
The molecular formula of ChemDiv1_005275 is C28H26N6O3S.
What is the molecular weight of ChemDiv1_005275?
The molecular weight of ChemDiv1_005275 is 526.18 g/mol.
Where can I buy ChemDiv1_005275?
You can request a quote for ChemDiv1_005275 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005275?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005275 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.