4-Piperidinecarboxylic acid, 1-(6,7-dihydro-7-methyl-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-2-yl)-,ethyl ester, monohydrochloride
TL;DR: 4-Piperidinecarboxylic acid, 1-(6,7-dihydro-7-methyl-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-2-yl)-,ethyl ester, monohydrochloride (CAS 122113-23-9) is a chemical compound with molecular formula C15H21ClN4O3 and molecular weight 340.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(7-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-4-carboxylate;hydrochloride
Also Known As: 4-Piperidinecarboxylic acid, 1-(6,7-dihydro-7-methyl-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-2-yl)-,ethyl ester, monohydrochloride, ethyl 1-(7-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-4-carboxylate hydrochloride, Ethyl 1-(7-methyl-6-oxo-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-4-carboxylate--hydrogen chloride (1/1), RefChem:295626
| Molecular Formula | C15H21ClN4O3 |
|---|---|
| Molecular Weight | 340.13 g/mol |
| LogP | 1.1968 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 340.13022 |
| Heavy Atoms | 23 |
| Complexity | 602.3848 |
Chemical Identifiers
| CAS Number | 122113-23-9 |
|---|---|
| SMILES | CCOC(=O)C1CCN(CC1)C2=NC=C3CC(=O)N(C3=N2)C.Cl |
Product Overview
4-Piperidinecarboxylic acid, 1-(6,7-dihydro-7-methyl-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-2-yl)-,ethyl ester, monohydrochloride (CAS 122113-23-9), with molecular formula C15H21ClN4O3 and molecular weight 340.13 g/mol. IUPAC: ethyl 1-(7-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-4-carboxylate;hydrochloride.
Chemical Property Profile of 4-Piperidinecarboxylic acid, 1-(6,7-dihydro-7-methyl-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-2-yl)-,ethyl ester, monohydrochloride
Property Insights of 4-Piperidinecarboxylic acid, 1-(6,7-dihydro-7-methyl-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-2-yl)-,ethyl ester, monohydrochloride
The XLogP value of 1.1968 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Piperidinecarboxylic acid, 1-(6,7-dihydro-7-methyl-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-2-yl)-,ethyl ester, monohydrochloride. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Piperidinecarboxylic acid, 1-(6,7-dihydro-7-methyl-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-2-yl)-,ethyl ester, monohydrochloride. Following Lipinski's Rule of Five, 4-Piperidinecarboxylic acid, 1-(6,7-dihydro-7-methyl-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-2-yl)-,ethyl ester, monohydrochloride has 0 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 4-Piperidinecarboxylic acid, 1-(6,7-dihydro-7-methyl-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-2-yl)-,ethyl ester, monohydrochloride?
The CAS number of 4-Piperidinecarboxylic acid, 1-(6,7-dihydro-7-methyl-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-2-yl)-,ethyl ester, monohydrochloride is 122113-23-9.
What is the molecular formula of 4-Piperidinecarboxylic acid, 1-(6,7-dihydro-7-methyl-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-2-yl)-,ethyl ester, monohydrochloride?
The molecular formula of 4-Piperidinecarboxylic acid, 1-(6,7-dihydro-7-methyl-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-2-yl)-,ethyl ester, monohydrochloride is C15H21ClN4O3.
What is the molecular weight of 4-Piperidinecarboxylic acid, 1-(6,7-dihydro-7-methyl-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-2-yl)-,ethyl ester, monohydrochloride?
The molecular weight of 4-Piperidinecarboxylic acid, 1-(6,7-dihydro-7-methyl-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-2-yl)-,ethyl ester, monohydrochloride is 340.13 g/mol.
Where can I buy 4-Piperidinecarboxylic acid, 1-(6,7-dihydro-7-methyl-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-2-yl)-,ethyl ester, monohydrochloride?
You can request a quote for 4-Piperidinecarboxylic acid, 1-(6,7-dihydro-7-methyl-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-2-yl)-,ethyl ester, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Piperidinecarboxylic acid, 1-(6,7-dihydro-7-methyl-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-2-yl)-,ethyl ester, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 4-Piperidinecarboxylic acid, 1-(6,7-dihydro-7-methyl-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-2-yl)-,ethyl ester, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.