AN-655/13602073
TL;DR: AN-655/13602073 (CAS 426248-31-9) is a chemical compound with molecular formula C20H19N5O4S and molecular weight 425.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylsulfanyl-6-(5-nitro-2-propoxyphenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Also Known As: AN-655/13602073, 3-methylsulfanyl-6-(5-nitro-2-propoxyphenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine, 2-[3-(METHYLSULFANYL)-6,7-DIHYDRO[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPIN-6-YL]-4-NITROPHENYL PROPYL ETHER, 3-(methylthio)-6-(5-nitro-2-propoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine, 6-{5-nitro-2-propoxyphenyl}-3-(methylthio)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
| Molecular Formula | C20H19N5O4S |
|---|---|
| Molecular Weight | 425.12 g/mol |
| LogP | 4.4606 |
| Topological Polar Surface Area | 112.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 425.11578 |
| Heavy Atoms | 30 |
| Complexity | 1094.542 |
Chemical Identifiers
| CAS Number | 426248-31-9 |
|---|---|
| SMILES | CCCOC1=C(C=C(C=C1)[N+](=O)[O-])C2NC3=CC=CC=C3C4=C(O2)N=C(N=N4)SC |
Product Overview
AN-655/13602073 (CAS 426248-31-9), with molecular formula C20H19N5O4S and molecular weight 425.12 g/mol. IUPAC: 3-methylsulfanyl-6-(5-nitro-2-propoxyphenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine.
Chemical Property Profile of AN-655/13602073
Property Insights of AN-655/13602073
The XLogP value of 4.4606 indicates that AN-655/13602073 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.3 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-655/13602073. Following Lipinski's Rule of Five, AN-655/13602073 has 1 hydrogen bond donor(s) and 9 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 AN-655/13602073?
The CAS number of AN-655/13602073 is 426248-31-9.
What is the molecular formula of AN-655/13602073?
The molecular formula of AN-655/13602073 is C20H19N5O4S.
What is the molecular weight of AN-655/13602073?
The molecular weight of AN-655/13602073 is 425.12 g/mol.
Where can I buy AN-655/13602073?
You can request a quote for AN-655/13602073 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-655/13602073?
Yes, KEHONG BIO provides custom synthesis services for AN-655/13602073 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.