4-Carbomethoxyhomocubane
TL;DR: 4-Carbomethoxyhomocubane (CAS 40317-63-3) is a chemical compound with molecular formula C11H12O2 and molecular weight 176.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl pentacyclo[4.3.0.02,5.03,8.04,7]nonane-4-carboxylate
Also Known As: 4-Carbomethoxyhomocubane, methyl pentacyclo[4.3.0.02,5.03,8.04,7]nonane-4-carboxylate, methyl pentacyclo[4.3.0.0~2,5~.0~3,8~.0~4,7~]nonane-4-carboxylate
| Molecular Formula | C11H12O2 |
|---|---|
| Molecular Weight | 176.08 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 176.08372 |
| Heavy Atoms | 13 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 40317-63-3 |
|---|---|
| SMILES | COC(=O)C12C3C4C1C5C2C3C5C4 |
| InChIKey | VZNFAXUDGDVVBT-UHFFFAOYSA-N |
Product Overview
4-Carbomethoxyhomocubane (CAS 40317-63-3), with molecular formula C11H12O2 and molecular weight 176.08 g/mol. IUPAC: methyl pentacyclo[4.3.0.02,5.03,8.04,7]nonane-4-carboxylate.
Chemical Property Profile of 4-Carbomethoxyhomocubane
Property Insights of 4-Carbomethoxyhomocubane
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Carbomethoxyhomocubane. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Carbomethoxyhomocubane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Carbomethoxyhomocubane has 0 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 4-Carbomethoxyhomocubane?
The CAS number of 4-Carbomethoxyhomocubane is 40317-63-3.
What is the molecular formula of 4-Carbomethoxyhomocubane?
The molecular formula of 4-Carbomethoxyhomocubane is C11H12O2.
What is the molecular weight of 4-Carbomethoxyhomocubane?
The molecular weight of 4-Carbomethoxyhomocubane is 176.08 g/mol.
Where can I buy 4-Carbomethoxyhomocubane?
You can request a quote for 4-Carbomethoxyhomocubane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Carbomethoxyhomocubane?
Yes, KEHONG BIO provides custom synthesis services for 4-Carbomethoxyhomocubane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.