LY466195 Diethyl ester prodrug
TL;DR: LY466195 Diethyl ester prodrug (CAS 317844-31-8) is a chemical compound with molecular formula C20H32F2N2O4 and molecular weight 402.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (3S,4aR,6S,8aR)-6-[[(2S)-2-ethoxycarbonyl-4,4-difluoropyrrolidin-1-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylate
Also Known As: LY466195 DIETHYL ESTER PRODRUG, 3-Isoquinolinecarboxylic acid, 6-[[(2S)-2-(ethoxycarbonyl)-4,4-difluoro-1-pyrrolidinyl]methyl]decahydro-, ethyl ester, (3S,4aR,6S,8aR)-, ethyl (3S,4aR,6S,8aR)-6-[[(2S)-2-ethoxycarbonyl-4,4-difluoropyrrolidin-1-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylate
| Molecular Formula | C20H32F2N2O4 |
|---|---|
| Molecular Weight | 402.23 g/mol |
| LogP | 2.2166 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 402.233 |
| Heavy Atoms | 28 |
| Complexity | 574.40894 |
Chemical Identifiers
| CAS Number | 317844-31-8 |
|---|---|
| SMILES | CCOC(=O)[C@@H]1C[C@H]2C[C@H](CC[C@H]2CN1)CN3CC(C[C@H]3C(=O)OCC)(F)F |
Product Overview
LY466195 Diethyl ester prodrug (CAS 317844-31-8), with molecular formula C20H32F2N2O4 and molecular weight 402.23 g/mol. IUPAC: ethyl (3S,4aR,6S,8aR)-6-[[(2S)-2-ethoxycarbonyl-4,4-difluoropyrrolidin-1-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylate.
Chemical Property Profile of LY466195 Diethyl ester prodrug
Property Insights of LY466195 Diethyl ester prodrug
The XLogP value of 2.2166 suggests moderate lipophilicity, balancing water solubility and membrane permeability for LY466195 Diethyl ester prodrug. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for LY466195 Diethyl ester prodrug. Following Lipinski's Rule of Five, LY466195 Diethyl ester prodrug has 1 hydrogen bond donor(s) and 6 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 LY466195 Diethyl ester prodrug?
The CAS number of LY466195 Diethyl ester prodrug is 317844-31-8.
What is the molecular formula of LY466195 Diethyl ester prodrug?
The molecular formula of LY466195 Diethyl ester prodrug is C20H32F2N2O4.
What is the molecular weight of LY466195 Diethyl ester prodrug?
The molecular weight of LY466195 Diethyl ester prodrug is 402.23 g/mol.
Where can I buy LY466195 Diethyl ester prodrug?
You can request a quote for LY466195 Diethyl ester prodrug directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for LY466195 Diethyl ester prodrug?
Yes, KEHONG BIO provides custom synthesis services for LY466195 Diethyl ester prodrug and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.