AF-399/41147993
TL;DR: AF-399/41147993 (CAS 444076-34-0) is a chemical compound with molecular formula C24H23N3O4S and molecular weight 449.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-6-[2-(3,4-dimethoxyphenyl)ethyl]-7-methyl-5-oxo-4-thiophen-2-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
Also Known As: AF-399/41147993, 2-amino-6-[2-(3,4-dimethoxyphenyl)ethyl]-7-methyl-5-oxo-4-(thiophen-2-yl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile, 2-amino-6-(3,4-dimethoxyphenethyl)-7-methyl-5-oxo-4-(thiophen-2-yl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile, 2-AMINO-6-[2-(3,4-DIMETHOXYPHENYL)ETHYL]-7-METHYL-5-OXO-4-(2-THIENYL)-5,6-DIHYDRO-4H-PYRANO[3,2-C]PYRIDINE-3-CARBONITRILE, 2-amino-6-[2-(3,4-dimethoxyphenyl)ethyl]-7-methyl-5-oxo-4-(2-thienyl)-6-hydro- 4H-pyrano[3,2-c]pyridine-3-carbonitrile
| Molecular Formula | C24H23N3O4S |
|---|---|
| Molecular Weight | 449.14 g/mol |
| LogP | 3.6963 |
| Topological Polar Surface Area | 99.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 449.14093 |
| Heavy Atoms | 32 |
| Complexity | 1285.8036 |
Chemical Identifiers
| CAS Number | 444076-34-0 |
|---|---|
| SMILES | CC1=CC2=C(C(C(=C(O2)N)C#N)C3=CC=CS3)C(=O)N1CCC4=CC(=C(C=C4)OC)OC |
Product Overview
AF-399/41147993 (CAS 444076-34-0), with molecular formula C24H23N3O4S and molecular weight 449.14 g/mol. IUPAC: 2-amino-6-[2-(3,4-dimethoxyphenyl)ethyl]-7-methyl-5-oxo-4-thiophen-2-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile.
Chemical Property Profile of AF-399/41147993
Property Insights of AF-399/41147993
The XLogP value of 3.6963 indicates that AF-399/41147993 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.5 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41147993. Following Lipinski's Rule of Five, AF-399/41147993 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 AF-399/41147993?
The CAS number of AF-399/41147993 is 444076-34-0.
What is the molecular formula of AF-399/41147993?
The molecular formula of AF-399/41147993 is C24H23N3O4S.
What is the molecular weight of AF-399/41147993?
The molecular weight of AF-399/41147993 is 449.14 g/mol.
Where can I buy AF-399/41147993?
You can request a quote for AF-399/41147993 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41147993?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41147993 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.