ChemDiv3_006465
TL;DR: ChemDiv3_006465 (CAS 444908-90-1) is a chemical compound with molecular formula C23H25N5OS and molecular weight 419.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(1-phenylethyl)butanamide
Also Known As: ChemDiv3_006465, BAS 03424749, IDI1_024375, BRD-A33019574-001-01-2, 2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(1-phenylethyl)butanamide
| Molecular Formula | C23H25N5OS |
|---|---|
| Molecular Weight | 419.18 g/mol |
| LogP | 4.7475 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 419.17798 |
| Heavy Atoms | 30 |
| Complexity | 1174.3779 |
Chemical Identifiers
| CAS Number | 444908-90-1 |
|---|---|
| SMILES | CCC(C(=O)NC(C)C1=CC=CC=C1)SC2=NC3=C(C4=CC=CC=C4N3CC)N=N2 |
Product Overview
ChemDiv3_006465 (CAS 444908-90-1), with molecular formula C23H25N5OS and molecular weight 419.18 g/mol. IUPAC: 2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(1-phenylethyl)butanamide.
Chemical Property Profile of ChemDiv3_006465
Property Insights of ChemDiv3_006465
The XLogP value of 4.7475 indicates that ChemDiv3_006465 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_006465. Following Lipinski's Rule of Five, ChemDiv3_006465 has 1 hydrogen bond donor(s) and 5 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 ChemDiv3_006465?
The CAS number of ChemDiv3_006465 is 444908-90-1.
What is the molecular formula of ChemDiv3_006465?
The molecular formula of ChemDiv3_006465 is C23H25N5OS.
What is the molecular weight of ChemDiv3_006465?
The molecular weight of ChemDiv3_006465 is 419.18 g/mol.
Where can I buy ChemDiv3_006465?
You can request a quote for ChemDiv3_006465 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_006465?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_006465 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.