AN-655/37429009
TL;DR: AN-655/37429009 (CAS 354779-23-0) is a chemical compound with molecular formula C21H18N4O4S and molecular weight 422.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-methylsulfanyl-7-propanoyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)benzoic acid
Also Known As: AN-655/37429009, AB00113027-01, 4-(3-methylsulfanyl-7-propanoyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)benzoic acid, 4-[3-(methylsulfanyl)-7-propanoyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzoic acid, 4-[3-(methylsulfanyl)-7-propionyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzoic acid
| Molecular Formula | C21H18N4O4S |
|---|---|
| Molecular Weight | 422.10 g/mol |
| LogP | 3.7929 |
| Topological Polar Surface Area | 105.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.1049 |
| Heavy Atoms | 30 |
| Complexity | 1120.2441 |
Chemical Identifiers
| CAS Number | 354779-23-0 |
|---|---|
| SMILES | CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC=C(C=C4)C(=O)O |
Product Overview
AN-655/37429009 (CAS 354779-23-0), with molecular formula C21H18N4O4S and molecular weight 422.10 g/mol. IUPAC: 4-(3-methylsulfanyl-7-propanoyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)benzoic acid.
Chemical Property Profile of AN-655/37429009
Property Insights of AN-655/37429009
The XLogP value of 3.7929 indicates that AN-655/37429009 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.51 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-655/37429009. Following Lipinski's Rule of Five, AN-655/37429009 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AN-655/37429009?
The CAS number of AN-655/37429009 is 354779-23-0.
What is the molecular formula of AN-655/37429009?
The molecular formula of AN-655/37429009 is C21H18N4O4S.
What is the molecular weight of AN-655/37429009?
The molecular weight of AN-655/37429009 is 422.10 g/mol.
Where can I buy AN-655/37429009?
You can request a quote for AN-655/37429009 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-655/37429009?
Yes, KEHONG BIO provides custom synthesis services for AN-655/37429009 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.