AN-655/13602012
TL;DR: AN-655/13602012 (CAS 426249-26-5) is a chemical compound with molecular formula C23H17N5O4S and molecular weight 459.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[5-(2-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-655/13602012, 6-[5-(2-nitrophenyl)furan-2-yl]-3-prop-2-enylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine, 3-(ALLYLSULFANYL)-6-[5-(2-NITROPHENYL)-2-FURYL]-6,7-DIHYDRO[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPINE, 3-(allylthio)-6-(5-{2-nitrophenyl}-2-furyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
| Molecular Formula | C23H17N5O4S |
|---|---|
| Molecular Weight | 459.10 g/mol |
| LogP | 5.488 |
| Topological Polar Surface Area | 116.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 459.10013 |
| Heavy Atoms | 33 |
| Complexity | 1356.1985 |
Chemical Identifiers
| CAS Number | 426249-26-5 |
|---|---|
| SMILES | C=CCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC=C(O4)C5=CC=CC=C5[N+](=O)[O-])N=N1 |
Product Overview
AN-655/13602012 (CAS 426249-26-5), with molecular formula C23H17N5O4S and molecular weight 459.10 g/mol. IUPAC: 6-[5-(2-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-655/13602012
Property Insights of AN-655/13602012
The XLogP value of 5.488 indicates that AN-655/13602012 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-655/13602012. Following Lipinski's Rule of Five, AN-655/13602012 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-655/13602012?
The CAS number of AN-655/13602012 is 426249-26-5.
What is the molecular formula of AN-655/13602012?
The molecular formula of AN-655/13602012 is C23H17N5O4S.
What is the molecular weight of AN-655/13602012?
The molecular weight of AN-655/13602012 is 459.10 g/mol.
Where can I buy AN-655/13602012?
You can request a quote for AN-655/13602012 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-655/13602012?
Yes, KEHONG BIO provides custom synthesis services for AN-655/13602012 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.