1-Methyl-4-oxonipecotic acid methyl ester hydrochloride
TL;DR: 1-Methyl-4-oxonipecotic acid methyl ester hydrochloride (CAS 13049-77-9) is a chemical compound with molecular formula C8H14ClNO3 and molecular weight 207.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-methyl-4-oxopiperidin-1-ium-3-carboxylate chloride
Also Known As: 1-Methyl-4-oxonipecotic acid methyl ester hydrochloride, N-Methyl-3-carbomethoxy-4-piperidone hydrochloride, methyl 1-methyl-4-oxopiperidin-1-ium-3-carboxylate;chloride, 1-Methyl-3-carbomethoxy-4-piperidone hydrochloride, I14-7988
| Molecular Formula | C8H14ClNO3 |
|---|---|
| Molecular Weight | 207.07 g/mol |
| LogP | -4.73 |
| Topological Polar Surface Area | 47.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.06622 |
| Heavy Atoms | 13 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 13049-77-9 |
|---|---|
| SMILES | C[NH+]1CCC(=O)C(C1)C(=O)OC.[Cl-] |
| InChIKey | XZHNOMMEHHXDTP-UHFFFAOYSA-N |
Product Overview
1-Methyl-4-oxonipecotic acid methyl ester hydrochloride (CAS 13049-77-9), with molecular formula C8H14ClNO3 and molecular weight 207.07 g/mol. IUPAC: methyl 1-methyl-4-oxopiperidin-1-ium-3-carboxylate chloride.
Chemical Property Profile of 1-Methyl-4-oxonipecotic acid methyl ester hydrochloride
Property Insights of 1-Methyl-4-oxonipecotic acid methyl ester hydrochloride
The XLogP value of -4.73 indicates that 1-Methyl-4-oxonipecotic acid methyl ester hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 47.8 Ų, 1-Methyl-4-oxonipecotic acid methyl ester hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-4-oxonipecotic acid methyl ester hydrochloride has 1 hydrogen bond donor(s) and 4 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 1-Methyl-4-oxonipecotic acid methyl ester hydrochloride?
The CAS number of 1-Methyl-4-oxonipecotic acid methyl ester hydrochloride is 13049-77-9.
What is the molecular formula of 1-Methyl-4-oxonipecotic acid methyl ester hydrochloride?
The molecular formula of 1-Methyl-4-oxonipecotic acid methyl ester hydrochloride is C8H14ClNO3.
What is the molecular weight of 1-Methyl-4-oxonipecotic acid methyl ester hydrochloride?
The molecular weight of 1-Methyl-4-oxonipecotic acid methyl ester hydrochloride is 207.07 g/mol.
Where can I buy 1-Methyl-4-oxonipecotic acid methyl ester hydrochloride?
You can request a quote for 1-Methyl-4-oxonipecotic acid methyl ester hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-4-oxonipecotic acid methyl ester hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-4-oxonipecotic acid methyl ester hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.