Bicyclo(2.2.1)heptane-2-carboxylic acid, 3,3-dimethyl-
TL;DR: Bicyclo(2.2.1)heptane-2-carboxylic acid, 3,3-dimethyl- (CAS 52557-98-9) is a chemical compound with molecular formula C10H16O2 and molecular weight 168.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid
Also Known As: 3,3-Dimethylbicyclo[2.2.1]heptane-2-carboxylic acid, Bicyclo[2.2.1]heptane-2-carboxylic acid, 3,3-dimethyl-, 3,3-dimethylbicyclo[2.2.1]heptane-2-carboxylicacid, Bicyclo(2.2.1)heptane-2-carboxylic acid, 3,3-dimethyl-, 3,3-Dimethylbicyclo(2.2.1)heptane-2-carboxylic acid
| Molecular Formula | C10H16O2 |
|---|---|
| Molecular Weight | 168.12 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.11504 |
| Heavy Atoms | 12 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 52557-98-9 |
|---|---|
| SMILES | CC1(C2CCC(C2)C1C(=O)O)C |
| InChIKey | KJKODDSNIDHCKV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bicyclo(2.2.1)heptane-2-carboxylic acid, 3,3-dimethyl- (CAS 52557-98-9), with molecular formula C10H16O2 and molecular weight 168.12 g/mol. IUPAC: 3,3-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid.
Chemical Property Profile of Bicyclo(2.2.1)heptane-2-carboxylic acid, 3,3-dimethyl-
Property Insights of Bicyclo(2.2.1)heptane-2-carboxylic acid, 3,3-dimethyl-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bicyclo(2.2.1)heptane-2-carboxylic acid, 3,3-dimethyl-. With a topological polar surface area (TPSA) of 37.3 Ų, Bicyclo(2.2.1)heptane-2-carboxylic acid, 3,3-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bicyclo(2.2.1)heptane-2-carboxylic acid, 3,3-dimethyl- has 1 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 Bicyclo(2.2.1)heptane-2-carboxylic acid, 3,3-dimethyl-?
The CAS number of Bicyclo(2.2.1)heptane-2-carboxylic acid, 3,3-dimethyl- is 52557-98-9.
What is the molecular formula of Bicyclo(2.2.1)heptane-2-carboxylic acid, 3,3-dimethyl-?
The molecular formula of Bicyclo(2.2.1)heptane-2-carboxylic acid, 3,3-dimethyl- is C10H16O2.
What is the molecular weight of Bicyclo(2.2.1)heptane-2-carboxylic acid, 3,3-dimethyl-?
The molecular weight of Bicyclo(2.2.1)heptane-2-carboxylic acid, 3,3-dimethyl- is 168.12 g/mol.
Where can I buy Bicyclo(2.2.1)heptane-2-carboxylic acid, 3,3-dimethyl-?
You can request a quote for Bicyclo(2.2.1)heptane-2-carboxylic acid, 3,3-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bicyclo(2.2.1)heptane-2-carboxylic acid, 3,3-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Bicyclo(2.2.1)heptane-2-carboxylic acid, 3,3-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.