AN-655/13943009
TL;DR: AN-655/13943009 (CAS 354776-52-6) is a chemical compound with molecular formula C25H22ClN5OS and molecular weight 475.12 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]-N,N-dimethylaniline
Also Known As: AN-655/13943009, 4-[3-[(2-chlorophenyl)methylsulfanyl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-N,N-dimethylaniline, 4-{3-[(2-chlorobenzyl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl}-N,N-dimethylaniline
| Molecular Formula | C25H22ClN5OS |
|---|---|
| Molecular Weight | 475.12 g/mol |
| LogP | 6.0534 |
| Topological Polar Surface Area | 63.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 475.12335 |
| Heavy Atoms | 33 |
| Complexity | 1282.0457 |
Chemical Identifiers
| CAS Number | 354776-52-6 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C2NC3=CC=CC=C3C4=C(O2)N=C(N=N4)SCC5=CC=CC=C5Cl |
Product Overview
AN-655/13943009 (CAS 354776-52-6), with molecular formula C25H22ClN5OS and molecular weight 475.12 g/mol. IUPAC: 4-[3-[(2-chlorophenyl)methylsulfanyl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-N,N-dimethylaniline.
Chemical Property Profile of AN-655/13943009
Property Insights of AN-655/13943009
The XLogP value of 6.0534 indicates that AN-655/13943009 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.17 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-655/13943009. Following Lipinski's Rule of Five, AN-655/13943009 has 1 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-655/13943009?
The CAS number of AN-655/13943009 is 354776-52-6.
What is the molecular formula of AN-655/13943009?
The molecular formula of AN-655/13943009 is C25H22ClN5OS.
What is the molecular weight of AN-655/13943009?
The molecular weight of AN-655/13943009 is 475.12 g/mol.
Where can I buy AN-655/13943009?
You can request a quote for AN-655/13943009 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-655/13943009?
Yes, KEHONG BIO provides custom synthesis services for AN-655/13943009 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.