AF-399/40850624
TL;DR: AF-399/40850624 (CAS 477555-72-9) is a chemical compound with molecular formula C19H18N2O3S and molecular weight 354.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Also Known As: AF-399/40850624, F0882-0488, N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamide, N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide, N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
| Molecular Formula | C19H18N2O3S |
|---|---|
| Molecular Weight | 354.10 g/mol |
| LogP | 3.91218 |
| Topological Polar Surface Area | 71.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 354.10382 |
| Heavy Atoms | 25 |
| Complexity | 866.28467 |
Chemical Identifiers
| CAS Number | 477555-72-9 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC(=C2C#N)NC(=O)C3=CC4=C(C=C3)OCCO4 |
Product Overview
AF-399/40850624 (CAS 477555-72-9), with molecular formula C19H18N2O3S and molecular weight 354.10 g/mol. IUPAC: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
Chemical Property Profile of AF-399/40850624
Property Insights of AF-399/40850624
The XLogP value of 3.91218 indicates that AF-399/40850624 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.35 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40850624. Following Lipinski's Rule of Five, AF-399/40850624 has 1 hydrogen bond donor(s) and 5 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 AF-399/40850624?
The CAS number of AF-399/40850624 is 477555-72-9.
What is the molecular formula of AF-399/40850624?
The molecular formula of AF-399/40850624 is C19H18N2O3S.
What is the molecular weight of AF-399/40850624?
The molecular weight of AF-399/40850624 is 354.10 g/mol.
Where can I buy AF-399/40850624?
You can request a quote for AF-399/40850624 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40850624?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40850624 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.