Ethyl-3-acetoxy-7.8-dehydro-14-methylsenat
TL;DR: Ethyl-3-acetoxy-7.8-dehydro-14-methylsenat (CAS 5990-40-9) is a chemical compound with molecular formula C36H38FN3O4 and molecular weight 595.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(3-fluorophenyl)-6-methyl-2-oxo-1-[[4-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]phenyl]methyl]-3,4-dihydropyridine-5-carboxylate
Also Known As: Ethyl-3-acetoxy-7.8-dehydro-14-methylsenat, Ethyl 4-(3-fluorophenyl)-2-methyl-6-oxo-1-({4-[4-(3-phenylprop-2-en-1-yl)piperazine-1-carbonyl]phenyl}methyl)-1,4,5,6-tetrahydropyridine-3-carboxylate, ethyl 4-(3-fluorophenyl)-6-methyl-2-oxo-1-[[4-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]phenyl]methyl]-3,4-dihydropyridine-5-carboxylate, ETHYL 1-[[4-(4-CINNAMYLPIPERAZINE-1-CARBONYL)PHENYL]METHYL]-4-(3-FLUOROPHENYL)-2-METHYL-6-OXO-4,5-DIHYDROPYRIDINE-3-CARBOXYLATE
| Molecular Formula | C36H38FN3O4 |
|---|---|
| Molecular Weight | 595.28 g/mol |
| LogP | 5.6501 |
| Topological Polar Surface Area | 70.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 595.2846 |
| Heavy Atoms | 44 |
| Complexity | 1543.0605 |
Chemical Identifiers
| CAS Number | 5990-40-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C(=O)CC1C2=CC(=CC=C2)F)CC3=CC=C(C=C3)C(=O)N4CCN(CC4)CC=CC5=CC=CC=C5)C |
Product Overview
Ethyl-3-acetoxy-7.8-dehydro-14-methylsenat (CAS 5990-40-9), with molecular formula C36H38FN3O4 and molecular weight 595.28 g/mol. IUPAC: ethyl 4-(3-fluorophenyl)-6-methyl-2-oxo-1-[[4-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]phenyl]methyl]-3,4-dihydropyridine-5-carboxylate.
Chemical Property Profile of Ethyl-3-acetoxy-7.8-dehydro-14-methylsenat
Property Insights of Ethyl-3-acetoxy-7.8-dehydro-14-methylsenat
The XLogP value of 5.6501 indicates that Ethyl-3-acetoxy-7.8-dehydro-14-methylsenat is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.16 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl-3-acetoxy-7.8-dehydro-14-methylsenat. Following Lipinski's Rule of Five, Ethyl-3-acetoxy-7.8-dehydro-14-methylsenat has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl-3-acetoxy-7.8-dehydro-14-methylsenat?
The CAS number of Ethyl-3-acetoxy-7.8-dehydro-14-methylsenat is 5990-40-9.
What is the molecular formula of Ethyl-3-acetoxy-7.8-dehydro-14-methylsenat?
The molecular formula of Ethyl-3-acetoxy-7.8-dehydro-14-methylsenat is C36H38FN3O4.
What is the molecular weight of Ethyl-3-acetoxy-7.8-dehydro-14-methylsenat?
The molecular weight of Ethyl-3-acetoxy-7.8-dehydro-14-methylsenat is 595.28 g/mol.
Where can I buy Ethyl-3-acetoxy-7.8-dehydro-14-methylsenat?
You can request a quote for Ethyl-3-acetoxy-7.8-dehydro-14-methylsenat directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl-3-acetoxy-7.8-dehydro-14-methylsenat?
Yes, KEHONG BIO provides custom synthesis services for Ethyl-3-acetoxy-7.8-dehydro-14-methylsenat and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.