AN-655/13943034
TL;DR: AN-655/13943034 (CAS 6378-18-3) 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.
4-[3-[(2-chlorophenyl)methylsulfanyl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-ethoxyphenol
Also Known As: AN-655/13943034, 4-[3-[(2-chlorophenyl)methylsulfanyl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-ethoxyphenol, 4-(3-{[(2-Chlorophenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-2-ethoxyphenol, 4-{3-[(2-chlorobenzyl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl}-2-ethoxyphenol
| Molecular Formula | C25H21ClN4O3S |
|---|---|
| Molecular Weight | 492.10 g/mol |
| LogP | 6.0917 |
| Topological Polar Surface Area | 89.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 492.1023 |
| Heavy Atoms | 34 |
| Complexity | 1337.3077 |
Chemical Identifiers
| CAS Number | 6378-18-3 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C2NC3=CC=CC=C3C4=C(O2)N=C(N=N4)SCC5=CC=CC=C5Cl)O |
Product Overview
AN-655/13943034 (CAS 6378-18-3), with molecular formula C25H21ClN4O3S and molecular weight 492.10 g/mol. IUPAC: 4-[3-[(2-chlorophenyl)methylsulfanyl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-ethoxyphenol.
Chemical Property Profile of AN-655/13943034
Property Insights of AN-655/13943034
The XLogP value of 6.0917 indicates that AN-655/13943034 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.39 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-655/13943034. Following Lipinski's Rule of Five, AN-655/13943034 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AN-655/13943034?
The CAS number of AN-655/13943034 is 6378-18-3.
What is the molecular formula of AN-655/13943034?
The molecular formula of AN-655/13943034 is C25H21ClN4O3S.
What is the molecular weight of AN-655/13943034?
The molecular weight of AN-655/13943034 is 492.10 g/mol.
Where can I buy AN-655/13943034?
You can request a quote for AN-655/13943034 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-655/13943034?
Yes, KEHONG BIO provides custom synthesis services for AN-655/13943034 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.