ChemDiv1_004734
TL;DR: ChemDiv1_004734 (CAS 325693-08-1) is a chemical compound with molecular formula C28H27N5O4S and molecular weight 529.18 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-(3-hydroxypropyl)acetamide
Also Known As: ChemDiv1_004734, MixCom6_001589, BIM-0031073.P001, 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-(3-hydroxypropyl)acetamide, AF-399/14202008
| Molecular Formula | C28H27N5O4S |
|---|---|
| Molecular Weight | 529.18 g/mol |
| LogP | 3.24 |
| Topological Polar Surface Area | 117.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 529.1784 |
| Heavy Atoms | 38 |
| Complexity | 1436.643 |
Chemical Identifiers
| CAS Number | 325693-08-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCCCO)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O |
Product Overview
ChemDiv1_004734 (CAS 325693-08-1), with molecular formula C28H27N5O4S and molecular weight 529.18 g/mol. IUPAC: 2-[[5-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-hydroxypropyl)acetamide.
Chemical Property Profile of ChemDiv1_004734
Property Insights of ChemDiv1_004734
The XLogP value of 3.24 indicates that ChemDiv1_004734 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.42 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004734. Following Lipinski's Rule of Five, ChemDiv1_004734 has 2 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_004734?
The CAS number of ChemDiv1_004734 is 325693-08-1.
What is the molecular formula of ChemDiv1_004734?
The molecular formula of ChemDiv1_004734 is C28H27N5O4S.
What is the molecular weight of ChemDiv1_004734?
The molecular weight of ChemDiv1_004734 is 529.18 g/mol.
Where can I buy ChemDiv1_004734?
You can request a quote for ChemDiv1_004734 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004734?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004734 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.