蒎酮酸
TL;DR: 蒎酮酸 (CAS 473-72-3) is a chemical compound with molecular formula C10H16O3 and molecular weight 184.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
蒎酮酸
2-(3-acetyl-2,2-dimethylcyclobutyl)acetic acid
Also Known As: Pinonic acid, cis-Pinonic acid, cis-DL-Pinonic acid, 2-(3-acetyl-2,2-dimethylcyclobutyl)acetic acid, (+) Pinonic acid
| Molecular Formula | C10H16O3 |
|---|---|
| Molecular Weight | 184.11 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 184.10994 |
| Heavy Atoms | 13 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 473-72-3 |
|---|---|
| SMILES | CC(=O)C1CC(C1(C)C)CC(=O)O |
| InChIKey | SIZDUQQDBXJXLQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
蒎酮酸 (CAS 473-72-3), with molecular formula C10H16O3 and molecular weight 184.11 g/mol. IUPAC: 2-(3-acetyl-2,2-dimethylcyclobutyl)acetic acid.
Chemical Property Profile of 蒎酮酸
Property Insights of 蒎酮酸
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 蒎酮酸. With a topological polar surface area (TPSA) of 54.4 Ų, 蒎酮酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 蒎酮酸 has 1 hydrogen bond donor(s) and 3 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 蒎酮酸?
The CAS number of 蒎酮酸 is 473-72-3.
What is the molecular formula of 蒎酮酸?
The molecular formula of 蒎酮酸 is C10H16O3.
What is the molecular weight of 蒎酮酸?
The molecular weight of 蒎酮酸 is 184.11 g/mol.
Where can I buy 蒎酮酸?
You can request a quote for 蒎酮酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 蒎酮酸?
Yes, KEHONG BIO provides custom synthesis services for 蒎酮酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.