AN-655/14766078
TL;DR: AN-655/14766078 (CAS 426249-37-8) is a chemical compound with molecular formula C22H18N4OS2 and molecular weight 418.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-methylphenyl)methylsulfanyl]-6-thiophen-3-yl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Also Known As: AN-655/14766078, 3-[(4-methylbenzyl)sulfanyl]-6-(3-thienyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine, 3-[(4-methylphenyl)methylsulfanyl]-6-thiophen-3-yl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
| Molecular Formula | C22H18N4OS2 |
|---|---|
| Molecular Weight | 418.09 g/mol |
| LogP | 5.70392 |
| Topological Polar Surface Area | 59.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 418.0922 |
| Heavy Atoms | 29 |
| Complexity | 1130.0297 |
Chemical Identifiers
| CAS Number | 426249-37-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CSC2=NC3=C(C4=CC=CC=C4NC(O3)C5=CSC=C5)N=N2 |
Product Overview
AN-655/14766078 (CAS 426249-37-8), with molecular formula C22H18N4OS2 and molecular weight 418.09 g/mol. IUPAC: 3-[(4-methylphenyl)methylsulfanyl]-6-thiophen-3-yl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine.
Chemical Property Profile of AN-655/14766078
Property Insights of AN-655/14766078
The XLogP value of 5.70392 indicates that AN-655/14766078 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.93 Ų, AN-655/14766078 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AN-655/14766078 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 AN-655/14766078?
The CAS number of AN-655/14766078 is 426249-37-8.
What is the molecular formula of AN-655/14766078?
The molecular formula of AN-655/14766078 is C22H18N4OS2.
What is the molecular weight of AN-655/14766078?
The molecular weight of AN-655/14766078 is 418.09 g/mol.
Where can I buy AN-655/14766078?
You can request a quote for AN-655/14766078 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-655/14766078?
Yes, KEHONG BIO provides custom synthesis services for AN-655/14766078 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.