AN-655/13534032
TL;DR: AN-655/13534032 (CAS 426251-92-5) is a chemical compound with molecular formula C28H22N4O2S and molecular weight 478.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzylsulfanyl-6-(2-methoxynaphthalen-1-yl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Also Known As: AN-655/13534032, 3-(benzylthio)-6-(2-methoxy-1-naphthyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine, 3-benzylsulfanyl-6-(2-methoxynaphthalen-1-yl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
| Molecular Formula | C28H22N4O2S |
|---|---|
| Molecular Weight | 478.15 g/mol |
| LogP | 6.4958 |
| Topological Polar Surface Area | 69.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 478.14636 |
| Heavy Atoms | 35 |
| Complexity | 1510.1747 |
Chemical Identifiers
| CAS Number | 426251-92-5 |
|---|---|
| SMILES | COC1=C(C2=CC=CC=C2C=C1)C3NC4=CC=CC=C4C5=C(O3)N=C(N=N5)SCC6=CC=CC=C6 |
Product Overview
AN-655/13534032 (CAS 426251-92-5), with molecular formula C28H22N4O2S and molecular weight 478.15 g/mol. IUPAC: 3-benzylsulfanyl-6-(2-methoxynaphthalen-1-yl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine.
Chemical Property Profile of AN-655/13534032
Property Insights of AN-655/13534032
The XLogP value of 6.4958 indicates that AN-655/13534032 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.16 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-655/13534032. Following Lipinski's Rule of Five, AN-655/13534032 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-655/13534032?
The CAS number of AN-655/13534032 is 426251-92-5.
What is the molecular formula of AN-655/13534032?
The molecular formula of AN-655/13534032 is C28H22N4O2S.
What is the molecular weight of AN-655/13534032?
The molecular weight of AN-655/13534032 is 478.15 g/mol.
Where can I buy AN-655/13534032?
You can request a quote for AN-655/13534032 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-655/13534032?
Yes, KEHONG BIO provides custom synthesis services for AN-655/13534032 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.