Methyl 3,3-dimethylbicyclo(2.2.1)heptane-2-propionate
TL;DR: Methyl 3,3-dimethylbicyclo(2.2.1)heptane-2-propionate (CAS 22833-72-3) is a chemical compound with molecular formula C13H22O2 and molecular weight 210.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)propanoate
Also Known As: Methyl 3,3-dimethylbicyclo(2.2.1)heptane-2-propionate, methyl 3-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)propanoate, methyl3,3-dimethylbicyclo[2.2.1]heptane-2-propionate, METHYL 3,3-DIMETHYLBICYCLO[2.2.1]HEPTANE-2-PROPIONATE, Methyl 3-(3,3-dimethylbicyclo[2.2.1]heptan-2-yl)propanoate
| Molecular Formula | C13H22O2 |
|---|---|
| Molecular Weight | 210.16 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 210.16199 |
| Heavy Atoms | 15 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 22833-72-3 |
|---|---|
| SMILES | CC1(C2CCC(C2)C1CCC(=O)OC)C |
| InChIKey | NYCUNWVIVVNUNY-UHFFFAOYSA-N |
Product Overview
Methyl 3,3-dimethylbicyclo(2.2.1)heptane-2-propionate (CAS 22833-72-3), with molecular formula C13H22O2 and molecular weight 210.16 g/mol. IUPAC: methyl 3-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)propanoate.
Chemical Property Profile of Methyl 3,3-dimethylbicyclo(2.2.1)heptane-2-propionate
Property Insights of Methyl 3,3-dimethylbicyclo(2.2.1)heptane-2-propionate
The XLogP value of 3.5 indicates that Methyl 3,3-dimethylbicyclo(2.2.1)heptane-2-propionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 3,3-dimethylbicyclo(2.2.1)heptane-2-propionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3,3-dimethylbicyclo(2.2.1)heptane-2-propionate 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 Methyl 3,3-dimethylbicyclo(2.2.1)heptane-2-propionate?
The CAS number of Methyl 3,3-dimethylbicyclo(2.2.1)heptane-2-propionate is 22833-72-3.
What is the molecular formula of Methyl 3,3-dimethylbicyclo(2.2.1)heptane-2-propionate?
The molecular formula of Methyl 3,3-dimethylbicyclo(2.2.1)heptane-2-propionate is C13H22O2.
What is the molecular weight of Methyl 3,3-dimethylbicyclo(2.2.1)heptane-2-propionate?
The molecular weight of Methyl 3,3-dimethylbicyclo(2.2.1)heptane-2-propionate is 210.16 g/mol.
Where can I buy Methyl 3,3-dimethylbicyclo(2.2.1)heptane-2-propionate?
You can request a quote for Methyl 3,3-dimethylbicyclo(2.2.1)heptane-2-propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3,3-dimethylbicyclo(2.2.1)heptane-2-propionate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3,3-dimethylbicyclo(2.2.1)heptane-2-propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.