2H-Pyran-3-propanoic acid, tetrahydro-6,6-dimethyl-4-oxo-, 3-(1-piperidinyl)propyl ester, ethanedioate
TL;DR: 2H-Pyran-3-propanoic acid, tetrahydro-6,6-dimethyl-4-oxo-, 3-(1-piperidinyl)propyl ester, ethanedioate (CAS 78034-49-8) is a chemical compound with molecular formula C20H33NO8 and molecular weight 415.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
oxalic acid;3-piperidin-1-ylpropyl 3-(6,6-dimethyl-4-oxooxan-3-yl)propanoate
Also Known As: 2H-Pyran-3-propanoic acid, tetrahydro-6,6-dimethyl-4-oxo-, 3-(1-piperidinyl)propyl ester, ethanedioate, IUPAC: Oxalic Acid; 3-(1-piperidyl)propyl 3-(6,6-dimethyl-4-oxo-oxan-3-yl)propanoate, oxalic acid,3-piperidin-1-ylpropyl 3-(6,6-dimethyl-4-oxooxan-3-yl)propanoate, Oxalic acid--3-(piperidin-1-yl)propyl 3-(6,6-dimethyl-4-oxooxan-3-yl)propanoate (1/1), oxalic acid; 3-piperidin-1-ylpropyl 3-(6,6-dimethyl-4-oxooxan-3-yl)propanoate
| Molecular Formula | C20H33NO8 |
|---|---|
| Molecular Weight | 415.22 g/mol |
| LogP | 1.7256 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 415.2206 |
| Heavy Atoms | 29 |
| Complexity | 473.0 |
Chemical Identifiers
| CAS Number | 78034-49-8 |
|---|---|
| SMILES | CC1(CC(=O)C(CO1)CCC(=O)OCCCN2CCCCC2)C.C(=O)(C(=O)O)O |
| InChIKey | NFHBWUSKQGOXOH-UHFFFAOYSA-N |
Product Overview
2H-Pyran-3-propanoic acid, tetrahydro-6,6-dimethyl-4-oxo-, 3-(1-piperidinyl)propyl ester, ethanedioate (CAS 78034-49-8), with molecular formula C20H33NO8 and molecular weight 415.22 g/mol. IUPAC: oxalic acid;3-piperidin-1-ylpropyl 3-(6,6-dimethyl-4-oxooxan-3-yl)propanoate.
Chemical Property Profile of 2H-Pyran-3-propanoic acid, tetrahydro-6,6-dimethyl-4-oxo-, 3-(1-piperidinyl)propyl ester, ethanedioate
Property Insights of 2H-Pyran-3-propanoic acid, tetrahydro-6,6-dimethyl-4-oxo-, 3-(1-piperidinyl)propyl ester, ethanedioate
The XLogP value of 1.7256 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-Pyran-3-propanoic acid, tetrahydro-6,6-dimethyl-4-oxo-, 3-(1-piperidinyl)propyl ester, ethanedioate. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-Pyran-3-propanoic acid, tetrahydro-6,6-dimethyl-4-oxo-, 3-(1-piperidinyl)propyl ester, ethanedioate. Following Lipinski's Rule of Five, 2H-Pyran-3-propanoic acid, tetrahydro-6,6-dimethyl-4-oxo-, 3-(1-piperidinyl)propyl ester, ethanedioate has 2 hydrogen bond donor(s) and 9 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 2H-Pyran-3-propanoic acid, tetrahydro-6,6-dimethyl-4-oxo-, 3-(1-piperidinyl)propyl ester, ethanedioate?
The CAS number of 2H-Pyran-3-propanoic acid, tetrahydro-6,6-dimethyl-4-oxo-, 3-(1-piperidinyl)propyl ester, ethanedioate is 78034-49-8.
What is the molecular formula of 2H-Pyran-3-propanoic acid, tetrahydro-6,6-dimethyl-4-oxo-, 3-(1-piperidinyl)propyl ester, ethanedioate?
The molecular formula of 2H-Pyran-3-propanoic acid, tetrahydro-6,6-dimethyl-4-oxo-, 3-(1-piperidinyl)propyl ester, ethanedioate is C20H33NO8.
What is the molecular weight of 2H-Pyran-3-propanoic acid, tetrahydro-6,6-dimethyl-4-oxo-, 3-(1-piperidinyl)propyl ester, ethanedioate?
The molecular weight of 2H-Pyran-3-propanoic acid, tetrahydro-6,6-dimethyl-4-oxo-, 3-(1-piperidinyl)propyl ester, ethanedioate is 415.22 g/mol.
Where can I buy 2H-Pyran-3-propanoic acid, tetrahydro-6,6-dimethyl-4-oxo-, 3-(1-piperidinyl)propyl ester, ethanedioate?
You can request a quote for 2H-Pyran-3-propanoic acid, tetrahydro-6,6-dimethyl-4-oxo-, 3-(1-piperidinyl)propyl ester, ethanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-Pyran-3-propanoic acid, tetrahydro-6,6-dimethyl-4-oxo-, 3-(1-piperidinyl)propyl ester, ethanedioate?
Yes, KEHONG BIO provides custom synthesis services for 2H-Pyran-3-propanoic acid, tetrahydro-6,6-dimethyl-4-oxo-, 3-(1-piperidinyl)propyl ester, ethanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.