AN-655/13602027
TL;DR: AN-655/13602027 (CAS 426236-50-2) is a chemical compound with molecular formula C24H19N5O4S and molecular weight 473.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[5-(2-methyl-4-nitrophenyl)furan-2-yl]-3-prop-2-enylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Also Known As: AN-655/13602027, 6-[5-(2-methyl-4-nitrophenyl)furan-2-yl]-3-prop-2-enylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine, 3-(allylthio)-6-(5-{4-nitro-2-methylphenyl}-2-furyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine, 6-[5-(2-methyl-4-nitrophenyl)furan-2-yl]-3-(prop-2-en-1-ylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
| Molecular Formula | C24H19N5O4S |
|---|---|
| Molecular Weight | 473.12 g/mol |
| LogP | 5.79642 |
| Topological Polar Surface Area | 116.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 473.11578 |
| Heavy Atoms | 34 |
| Complexity | 1403.8862 |
Chemical Identifiers
| CAS Number | 426236-50-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C3NC4=CC=CC=C4C5=C(O3)N=C(N=N5)SCC=C |
Product Overview
AN-655/13602027 (CAS 426236-50-2), with molecular formula C24H19N5O4S and molecular weight 473.12 g/mol. IUPAC: 6-[5-(2-methyl-4-nitrophenyl)furan-2-yl]-3-prop-2-enylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine.
Chemical Property Profile of AN-655/13602027
Property Insights of AN-655/13602027
The XLogP value of 5.79642 indicates that AN-655/13602027 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.21 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-655/13602027. Following Lipinski's Rule of Five, AN-655/13602027 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AN-655/13602027?
The CAS number of AN-655/13602027 is 426236-50-2.
What is the molecular formula of AN-655/13602027?
The molecular formula of AN-655/13602027 is C24H19N5O4S.
What is the molecular weight of AN-655/13602027?
The molecular weight of AN-655/13602027 is 473.12 g/mol.
Where can I buy AN-655/13602027?
You can request a quote for AN-655/13602027 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-655/13602027?
Yes, KEHONG BIO provides custom synthesis services for AN-655/13602027 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.