Einecs 226-120-5
TL;DR: Einecs 226-120-5 (CAS 5285-31-4) is a chemical compound with molecular formula C12H17NO2 and molecular weight 207.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzoic acid;piperidine
Also Known As: Piperidinbenzoat, Piperidinium benzoate, benzoic acid; piperidine, EINECS 226-120-5, Benzoic acid--piperidine (1/1)
| Molecular Formula | C12H17NO2 |
|---|---|
| Molecular Weight | 207.13 g/mol |
| LogP | 2.1447 |
| Topological Polar Surface Area | 49.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 207.12593 |
| Heavy Atoms | 15 |
| Complexity | 269.42365 |
Chemical Identifiers
| CAS Number | 5285-31-4 |
|---|---|
| SMILES | C1CCNCC1.C1=CC=C(C=C1)C(=O)O |
Product Overview
Einecs 226-120-5 (CAS 5285-31-4), with molecular formula C12H17NO2 and molecular weight 207.13 g/mol. IUPAC: benzoic acid;piperidine.
Chemical Property Profile of Einecs 226-120-5
Property Insights of Einecs 226-120-5
The XLogP value of 2.1447 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Einecs 226-120-5. With a topological polar surface area (TPSA) of 49.33 Ų, Einecs 226-120-5 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Einecs 226-120-5 has 2 hydrogen bond donor(s) and 2 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 Einecs 226-120-5?
The CAS number of Einecs 226-120-5 is 5285-31-4.
What is the molecular formula of Einecs 226-120-5?
The molecular formula of Einecs 226-120-5 is C12H17NO2.
What is the molecular weight of Einecs 226-120-5?
The molecular weight of Einecs 226-120-5 is 207.13 g/mol.
Where can I buy Einecs 226-120-5?
You can request a quote for Einecs 226-120-5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 226-120-5?
Yes, KEHONG BIO provides custom synthesis services for Einecs 226-120-5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.