AN-655/13943045
TL;DR: AN-655/13943045 (CAS 354776-96-8) is a chemical compound with molecular formula C25H19ClN4O3S and molecular weight 490.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[3-[(2-chlorophenyl)methylsulfanyl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzoate
Also Known As: AN-655/13943045, methyl 4-[3-[(2-chlorophenyl)methylsulfanyl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzoate, methyl 4-(3-((2-chlorobenzyl)thio)-6,7-dihydrobenzo[d][1,2,4]triazino[6,5-f][1,3]oxazepin-6-yl)benzoate, methyl 4-{3-[(2-chlorobenzyl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl}benzoate
| Molecular Formula | C25H19ClN4O3S |
|---|---|
| Molecular Weight | 490.09 g/mol |
| LogP | 5.774 |
| Topological Polar Surface Area | 86.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 490.08664 |
| Heavy Atoms | 34 |
| Complexity | 1350.3293 |
Chemical Identifiers
| CAS Number | 354776-96-8 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C2NC3=CC=CC=C3C4=C(O2)N=C(N=N4)SCC5=CC=CC=C5Cl |
Product Overview
AN-655/13943045 (CAS 354776-96-8), with molecular formula C25H19ClN4O3S and molecular weight 490.09 g/mol. IUPAC: methyl 4-[3-[(2-chlorophenyl)methylsulfanyl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzoate.
Chemical Property Profile of AN-655/13943045
Property Insights of AN-655/13943045
The XLogP value of 5.774 indicates that AN-655/13943045 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.23 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-655/13943045. Following Lipinski's Rule of Five, AN-655/13943045 has 1 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-655/13943045?
The CAS number of AN-655/13943045 is 354776-96-8.
What is the molecular formula of AN-655/13943045?
The molecular formula of AN-655/13943045 is C25H19ClN4O3S.
What is the molecular weight of AN-655/13943045?
The molecular weight of AN-655/13943045 is 490.09 g/mol.
Where can I buy AN-655/13943045?
You can request a quote for AN-655/13943045 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-655/13943045?
Yes, KEHONG BIO provides custom synthesis services for AN-655/13943045 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.