4-Piperidinecarboxylic acid, 4-amino-1-(phenylmethyl)-, heptyl ester, ethanedioate (1:2)
TL;DR: 4-Piperidinecarboxylic acid, 4-amino-1-(phenylmethyl)-, heptyl ester, ethanedioate (1:2) (CAS 57611-72-0) is a chemical compound with molecular formula C22H34N2O6 and molecular weight 422.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptyl 4-amino-1-benzylpiperidine-4-carboxylate;oxalic acid
Also Known As: 4-Piperidinecarboxylic acid, 4-amino-1-(phenylmethyl)-, heptyl ester, ethanedioate (1:2), Heptyl 4-amino-1-(phenylmethyl)-4-piperidinecarboxylate ethanedioate (1:2), heptyl 4-amino-1-benzylpiperidine-4-carboxylate; oxalic acid, Oxalic acid--heptyl 4-amino-1-benzylpiperidine-4-carboxylate (1/1), RefChem:295657
| Molecular Formula | C22H34N2O6 |
|---|---|
| Molecular Weight | 422.24 g/mol |
| LogP | 2.6491 |
| Topological Polar Surface Area | 130.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 422.2417 |
| Heavy Atoms | 30 |
| Complexity | 644.85144 |
Chemical Identifiers
| CAS Number | 57611-72-0 |
|---|---|
| SMILES | CCCCCCCOC(=O)C1(CCN(CC1)CC2=CC=CC=C2)N.C(=O)(C(=O)O)O |
Product Overview
4-Piperidinecarboxylic acid, 4-amino-1-(phenylmethyl)-, heptyl ester, ethanedioate (1:2) (CAS 57611-72-0), with molecular formula C22H34N2O6 and molecular weight 422.24 g/mol. IUPAC: heptyl 4-amino-1-benzylpiperidine-4-carboxylate;oxalic acid.
Chemical Property Profile of 4-Piperidinecarboxylic acid, 4-amino-1-(phenylmethyl)-, heptyl ester, ethanedioate (1:2)
Property Insights of 4-Piperidinecarboxylic acid, 4-amino-1-(phenylmethyl)-, heptyl ester, ethanedioate (1:2)
The XLogP value of 2.6491 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Piperidinecarboxylic acid, 4-amino-1-(phenylmethyl)-, heptyl ester, ethanedioate (1:2). The TPSA of 130.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Piperidinecarboxylic acid, 4-amino-1-(phenylmethyl)-, heptyl ester, ethanedioate (1:2). Following Lipinski's Rule of Five, 4-Piperidinecarboxylic acid, 4-amino-1-(phenylmethyl)-, heptyl ester, ethanedioate (1:2) has 3 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, 4-amino-1-(phenylmethyl)-, heptyl ester, ethanedioate (1:2)?
The CAS number of 4-Piperidinecarboxylic acid, 4-amino-1-(phenylmethyl)-, heptyl ester, ethanedioate (1:2) is 57611-72-0.
What is the molecular formula of 4-Piperidinecarboxylic acid, 4-amino-1-(phenylmethyl)-, heptyl ester, ethanedioate (1:2)?
The molecular formula of 4-Piperidinecarboxylic acid, 4-amino-1-(phenylmethyl)-, heptyl ester, ethanedioate (1:2) is C22H34N2O6.
What is the molecular weight of 4-Piperidinecarboxylic acid, 4-amino-1-(phenylmethyl)-, heptyl ester, ethanedioate (1:2)?
The molecular weight of 4-Piperidinecarboxylic acid, 4-amino-1-(phenylmethyl)-, heptyl ester, ethanedioate (1:2) is 422.24 g/mol.
Where can I buy 4-Piperidinecarboxylic acid, 4-amino-1-(phenylmethyl)-, heptyl ester, ethanedioate (1:2)?
You can request a quote for 4-Piperidinecarboxylic acid, 4-amino-1-(phenylmethyl)-, heptyl ester, ethanedioate (1:2) 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, 4-amino-1-(phenylmethyl)-, heptyl ester, ethanedioate (1:2)?
Yes, KEHONG BIO provides custom synthesis services for 4-Piperidinecarboxylic acid, 4-amino-1-(phenylmethyl)-, heptyl ester, ethanedioate (1:2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.