AE-848/40939045
TL;DR: AE-848/40939045 (CAS 370853-95-5) is a chemical compound with molecular formula C24H24ClN3O6S and molecular weight 517.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chloro-2,5-dimethoxyphenyl)-2-[[5-cyano-4-(3,4-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide
Also Known As: AE-848/40939045, N-(4-chloro-2,5-dimethoxyphenyl)-2-[[5-cyano-4-(3,4-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide, N-(4-chloro-2,5-dimethoxyphenyl)-2-((3-cyano-4-(3,4-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)acetamide, N-(4-chloro-2,5-dimethoxyphenyl)-2-{[3-cyano-4-(3,4-dimethoxyphenyl)-6-hydroxy-4,5-dihydropyridin-2-yl]sulfanyl}acetamide, N-(4-chloro-2,5-dimethoxyphenyl)-2-{[3-cyano-4-(3,4-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydro-2-pyridinyl]sulfanyl}acetamide
| Molecular Formula | C24H24ClN3O6S |
|---|---|
| Molecular Weight | 517.11 g/mol |
| LogP | 4.08498 |
| Topological Polar Surface Area | 118.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 517.1074 |
| Heavy Atoms | 35 |
| Complexity | 1210.4761 |
Chemical Identifiers
| CAS Number | 370853-95-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2CC(=O)NC(=C2C#N)SCC(=O)NC3=CC(=C(C=C3OC)Cl)OC)OC |
Product Overview
AE-848/40939045 (CAS 370853-95-5), with molecular formula C24H24ClN3O6S and molecular weight 517.11 g/mol. IUPAC: N-(4-chloro-2,5-dimethoxyphenyl)-2-[[5-cyano-4-(3,4-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide.
Chemical Property Profile of AE-848/40939045
Property Insights of AE-848/40939045
The XLogP value of 4.08498 indicates that AE-848/40939045 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.91 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-848/40939045. Following Lipinski's Rule of Five, AE-848/40939045 has 2 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 AE-848/40939045?
The CAS number of AE-848/40939045 is 370853-95-5.
What is the molecular formula of AE-848/40939045?
The molecular formula of AE-848/40939045 is C24H24ClN3O6S.
What is the molecular weight of AE-848/40939045?
The molecular weight of AE-848/40939045 is 517.11 g/mol.
Where can I buy AE-848/40939045?
You can request a quote for AE-848/40939045 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/40939045?
Yes, KEHONG BIO provides custom synthesis services for AE-848/40939045 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.