Benzoic acid, 3-nitro-4-(1-piperidinyl)-, methyl ester
TL;DR: Benzoic acid, 3-nitro-4-(1-piperidinyl)-, methyl ester (CAS 32117-05-8) is a chemical compound with molecular formula C13H16N2O4 and molecular weight 264.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-nitro-4-piperidin-1-ylbenzoate
Also Known As: methyl 3-nitro-4-piperidin-1-ylbenzoate, methyl 3-nitro-4-(piperidin-1-yl)benzoate, methyl 3-nitro-4-piperidylbenzoate, Benzoic acid, 3-nitro-4-(1-piperidinyl)-, methyl ester, methyl 3-nitro-4-(1-piperidyl)benzoate
| Molecular Formula | C13H16N2O4 |
|---|---|
| Molecular Weight | 264.11 g/mol |
| LogP | 2.3717 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 264.111 |
| Heavy Atoms | 19 |
| Complexity | 495.41663 |
Chemical Identifiers
| CAS Number | 32117-05-8 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)N2CCCCC2)[N+](=O)[O-] |
Product Overview
Benzoic acid, 3-nitro-4-(1-piperidinyl)-, methyl ester (CAS 32117-05-8), with molecular formula C13H16N2O4 and molecular weight 264.11 g/mol. IUPAC: methyl 3-nitro-4-piperidin-1-ylbenzoate.
Chemical Property Profile of Benzoic acid, 3-nitro-4-(1-piperidinyl)-, methyl ester
Property Insights of Benzoic acid, 3-nitro-4-(1-piperidinyl)-, methyl ester
The XLogP value of 2.3717 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 3-nitro-4-(1-piperidinyl)-, methyl ester. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 3-nitro-4-(1-piperidinyl)-, methyl ester. Following Lipinski's Rule of Five, Benzoic acid, 3-nitro-4-(1-piperidinyl)-, methyl ester has 0 hydrogen bond donor(s) and 5 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 Benzoic acid, 3-nitro-4-(1-piperidinyl)-, methyl ester?
The CAS number of Benzoic acid, 3-nitro-4-(1-piperidinyl)-, methyl ester is 32117-05-8.
What is the molecular formula of Benzoic acid, 3-nitro-4-(1-piperidinyl)-, methyl ester?
The molecular formula of Benzoic acid, 3-nitro-4-(1-piperidinyl)-, methyl ester is C13H16N2O4.
What is the molecular weight of Benzoic acid, 3-nitro-4-(1-piperidinyl)-, methyl ester?
The molecular weight of Benzoic acid, 3-nitro-4-(1-piperidinyl)-, methyl ester is 264.11 g/mol.
Where can I buy Benzoic acid, 3-nitro-4-(1-piperidinyl)-, methyl ester?
You can request a quote for Benzoic acid, 3-nitro-4-(1-piperidinyl)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 3-nitro-4-(1-piperidinyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-nitro-4-(1-piperidinyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.