AE-848/40939214
TL;DR: AE-848/40939214 (CAS 370850-84-3) is a chemical compound with molecular formula C31H31N3O4S and molecular weight 541.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-cyano-4-(3-methoxy-4-phenylmethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
Also Known As: AE-848/40939214, 2-[[5-cyano-4-(3-methoxy-4-phenylmethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide, 2-((4-(4-(benzyloxy)-3-methoxyphenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-mesitylacetamide, 2-({4-[4-(benzyloxy)-3-methoxyphenyl]-3-cyano-6-oxo-1,4,5,6-tetrahydro-2-pyridinyl}sulfanyl)-N-mesitylacetamide, 2-({4-[4-(benzyloxy)-3-methoxyphenyl]-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)-N-(2,4,6-trimethylphenyl)acetamide
| Molecular Formula | C31H31N3O4S |
|---|---|
| Molecular Weight | 541.20 g/mol |
| LogP | 5.91004 |
| Topological Polar Surface Area | 100.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 541.20355 |
| Heavy Atoms | 39 |
| Complexity | 1437.3961 |
Chemical Identifiers
| CAS Number | 370850-84-3 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)NC(=O)CSC2=C(C(CC(=O)N2)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)C#N)C |
Product Overview
AE-848/40939214 (CAS 370850-84-3), with molecular formula C31H31N3O4S and molecular weight 541.20 g/mol. IUPAC: 2-[[5-cyano-4-(3-methoxy-4-phenylmethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide.
Chemical Property Profile of AE-848/40939214
Property Insights of AE-848/40939214
The XLogP value of 5.91004 indicates that AE-848/40939214 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.45 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-848/40939214. Following Lipinski's Rule of Five, AE-848/40939214 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AE-848/40939214?
The CAS number of AE-848/40939214 is 370850-84-3.
What is the molecular formula of AE-848/40939214?
The molecular formula of AE-848/40939214 is C31H31N3O4S.
What is the molecular weight of AE-848/40939214?
The molecular weight of AE-848/40939214 is 541.20 g/mol.
Where can I buy AE-848/40939214?
You can request a quote for AE-848/40939214 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/40939214?
Yes, KEHONG BIO provides custom synthesis services for AE-848/40939214 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.