AN-655/13602044
TL;DR: AN-655/13602044 (CAS 442641-84-1) is a chemical compound with molecular formula C23H23N5O5S and molecular weight 481.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hexylsulfanyl-6-(6-nitro-1,3-benzodioxol-5-yl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Also Known As: AN-655/13602044, 3-(hexylthio)-6-{6-nitro-1,3-benzodioxol-5-yl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine, 3-(HEXYLSULFANYL)-6-(6-NITRO-1,3-BENZODIOXOL-5-YL)-6,7-DIHYDRO[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPINE, 3-hexylsulfanyl-6-(6-nitro-1,3-benzodioxol-5-yl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine, 3-(hexylthio)-6-(6-nitro-1,3-benzodioxol-5-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
| Molecular Formula | C23H23N5O5S |
|---|---|
| Molecular Weight | 481.14 g/mol |
| LogP | 5.351 |
| Topological Polar Surface Area | 121.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 481.142 |
| Heavy Atoms | 34 |
| Complexity | 1224.3503 |
Chemical Identifiers
| CAS Number | 442641-84-1 |
|---|---|
| SMILES | CCCCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC5=C(C=C4[N+](=O)[O-])OCO5)N=N1 |
Product Overview
AN-655/13602044 (CAS 442641-84-1), with molecular formula C23H23N5O5S and molecular weight 481.14 g/mol. IUPAC: 3-hexylsulfanyl-6-(6-nitro-1,3-benzodioxol-5-yl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine.
Chemical Property Profile of AN-655/13602044
Property Insights of AN-655/13602044
The XLogP value of 5.351 indicates that AN-655/13602044 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.53 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-655/13602044. Following Lipinski's Rule of Five, AN-655/13602044 has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AN-655/13602044?
The CAS number of AN-655/13602044 is 442641-84-1.
What is the molecular formula of AN-655/13602044?
The molecular formula of AN-655/13602044 is C23H23N5O5S.
What is the molecular weight of AN-655/13602044?
The molecular weight of AN-655/13602044 is 481.14 g/mol.
Where can I buy AN-655/13602044?
You can request a quote for AN-655/13602044 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-655/13602044?
Yes, KEHONG BIO provides custom synthesis services for AN-655/13602044 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.