AN-655/14058013
TL;DR: AN-655/14058013 (CAS 354777-89-2) is a chemical compound with molecular formula C25H21ClN4O3S and molecular weight 492.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[6-[5-(4-chlorophenyl)furan-2-yl]-3-propylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone
Also Known As: AN-655/14058013, 1-[6-[5-(4-chlorophenyl)furan-2-yl]-3-propylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone, 1-{6-[5-(4-chlorophenyl)furan-2-yl]-3-(propylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethanone, 1-[6-[5-(4-CHLOROPHENYL)-2-FURYL]-3-(PROPYLSULFANYL)[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPIN-7(6H)-YL]-1-ETHANONE, 7-acetyl-6-[5-(4-chlorophenyl)-2-furyl]-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
| Molecular Formula | C25H21ClN4O3S |
|---|---|
| Molecular Weight | 492.10 g/mol |
| LogP | 6.3982 |
| Topological Polar Surface Area | 81.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 492.1023 |
| Heavy Atoms | 34 |
| Complexity | 1342.2576 |
Chemical Identifiers
| CAS Number | 354777-89-2 |
|---|---|
| SMILES | CCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC=C(O4)C5=CC=C(C=C5)Cl)C(=O)C)N=N1 |
Product Overview
AN-655/14058013 (CAS 354777-89-2), with molecular formula C25H21ClN4O3S and molecular weight 492.10 g/mol. IUPAC: 1-[6-[5-(4-chlorophenyl)furan-2-yl]-3-propylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone.
Chemical Property Profile of AN-655/14058013
Property Insights of AN-655/14058013
The XLogP value of 6.3982 indicates that AN-655/14058013 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.35 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-655/14058013. Following Lipinski's Rule of Five, AN-655/14058013 has 0 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-655/14058013?
The CAS number of AN-655/14058013 is 354777-89-2.
What is the molecular formula of AN-655/14058013?
The molecular formula of AN-655/14058013 is C25H21ClN4O3S.
What is the molecular weight of AN-655/14058013?
The molecular weight of AN-655/14058013 is 492.10 g/mol.
Where can I buy AN-655/14058013?
You can request a quote for AN-655/14058013 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-655/14058013?
Yes, KEHONG BIO provides custom synthesis services for AN-655/14058013 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.