Methyl 1-nitrocyclohexanepropionate
TL;DR: Methyl 1-nitrocyclohexanepropionate (CAS 71648-41-4) is a chemical compound with molecular formula C10H17NO4 and molecular weight 215.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(1-nitrocyclohexyl)propanoate
Also Known As: methyl 3-(1-nitrocyclohexyl)propanoate, NCIOpen2_003021, Methyl (1-nitrocyclohexane)propionate, Cyclohexanepropionic acid, 1-nitro-, methyl ester, METHYL 1-NITROCYCLOHEXANEPROPIONATE
| Molecular Formula | C10H17NO4 |
|---|---|
| Molecular Weight | 215.12 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 215.11575 |
| Heavy Atoms | 15 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 71648-41-4 |
|---|---|
| SMILES | COC(=O)CCC1(CCCCC1)[N+](=O)[O-] |
| InChIKey | AVXYQXCOTAFKQF-UHFFFAOYSA-N |
Product Overview
Methyl 1-nitrocyclohexanepropionate (CAS 71648-41-4), with molecular formula C10H17NO4 and molecular weight 215.12 g/mol. IUPAC: methyl 3-(1-nitrocyclohexyl)propanoate.
Chemical Property Profile of Methyl 1-nitrocyclohexanepropionate
Property Insights of Methyl 1-nitrocyclohexanepropionate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1-nitrocyclohexanepropionate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 1-nitrocyclohexanepropionate. Following Lipinski's Rule of Five, Methyl 1-nitrocyclohexanepropionate has 0 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 Methyl 1-nitrocyclohexanepropionate?
The CAS number of Methyl 1-nitrocyclohexanepropionate is 71648-41-4.
What is the molecular formula of Methyl 1-nitrocyclohexanepropionate?
The molecular formula of Methyl 1-nitrocyclohexanepropionate is C10H17NO4.
What is the molecular weight of Methyl 1-nitrocyclohexanepropionate?
The molecular weight of Methyl 1-nitrocyclohexanepropionate is 215.12 g/mol.
Where can I buy Methyl 1-nitrocyclohexanepropionate?
You can request a quote for Methyl 1-nitrocyclohexanepropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 1-nitrocyclohexanepropionate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1-nitrocyclohexanepropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.