AN-655/13300051
TL;DR: AN-655/13300051 (CAS 353517-70-1) is a chemical compound with molecular formula C29H24N4O2S and molecular weight 492.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzylsulfanyl-6-(2-ethoxynaphthalen-1-yl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Also Known As: AN-655/13300051, 3-(benzylsulfanyl)-6-(2-ethoxy-1-naphthyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine, 3-benzylsulfanyl-6-(2-ethoxynaphthalen-1-yl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
| Molecular Formula | C29H24N4O2S |
|---|---|
| Molecular Weight | 492.16 g/mol |
| LogP | 6.8859 |
| Topological Polar Surface Area | 69.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 492.162 |
| Heavy Atoms | 36 |
| Complexity | 1527.0773 |
Chemical Identifiers
| CAS Number | 353517-70-1 |
|---|---|
| SMILES | CCOC1=C(C2=CC=CC=C2C=C1)C3NC4=CC=CC=C4C5=C(O3)N=C(N=N5)SCC6=CC=CC=C6 |
Product Overview
AN-655/13300051 (CAS 353517-70-1), with molecular formula C29H24N4O2S and molecular weight 492.16 g/mol. IUPAC: 3-benzylsulfanyl-6-(2-ethoxynaphthalen-1-yl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine.
Chemical Property Profile of AN-655/13300051
Property Insights of AN-655/13300051
The XLogP value of 6.8859 indicates that AN-655/13300051 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-655/13300051. Following Lipinski's Rule of Five, AN-655/13300051 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-655/13300051?
The CAS number of AN-655/13300051 is 353517-70-1.
What is the molecular formula of AN-655/13300051?
The molecular formula of AN-655/13300051 is C29H24N4O2S.
What is the molecular weight of AN-655/13300051?
The molecular weight of AN-655/13300051 is 492.16 g/mol.
Where can I buy AN-655/13300051?
You can request a quote for AN-655/13300051 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-655/13300051?
Yes, KEHONG BIO provides custom synthesis services for AN-655/13300051 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.