A1458/0064277
TL;DR: A1458/0064277 (CAS 311780-97-9) is a chemical compound with molecular formula C26H21N5OS and molecular weight 451.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diphenyl-2-[(5-prop-2-enyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
Also Known As: A1458/0064277, N,N-diphenyl-2-[(5-prop-2-enyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide, 2-[(5-allyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N,N-diphenylacetamide, N,N-diphenyl-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
| Molecular Formula | C26H21N5OS |
|---|---|
| Molecular Weight | 451.15 g/mol |
| LogP | 5.6225 |
| Topological Polar Surface Area | 63.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 451.14667 |
| Heavy Atoms | 33 |
| Complexity | 1393.6246 |
Chemical Identifiers
| CAS Number | 311780-97-9 |
|---|---|
| SMILES | C=CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)N(C4=CC=CC=C4)C5=CC=CC=C5 |
Product Overview
A1458/0064277 (CAS 311780-97-9), with molecular formula C26H21N5OS and molecular weight 451.15 g/mol. IUPAC: N,N-diphenyl-2-[(5-prop-2-enyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of A1458/0064277
Property Insights of A1458/0064277
The XLogP value of 5.6225 indicates that A1458/0064277 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.91 Ų falls within the moderate polarity range, balancing permeability and solubility for A1458/0064277. Following Lipinski's Rule of Five, A1458/0064277 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A1458/0064277?
The CAS number of A1458/0064277 is 311780-97-9.
What is the molecular formula of A1458/0064277?
The molecular formula of A1458/0064277 is C26H21N5OS.
What is the molecular weight of A1458/0064277?
The molecular weight of A1458/0064277 is 451.15 g/mol.
Where can I buy A1458/0064277?
You can request a quote for A1458/0064277 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1458/0064277?
Yes, KEHONG BIO provides custom synthesis services for A1458/0064277 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.