Chokolic acid B
TL;DR: Chokolic acid B (CAS 125564-57-0) is a chemical compound with molecular formula C12H20O3 and molecular weight 212.14125 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]pent-4-enoic acid
Also Known As: Chokolic acid B, 14-Deoxychokolic acid A, 4-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]pent-4-enoic acid, (1R,2S,3R)-3-Hydroxy-2,3-dimethyl-gamma-methylenecyclopentanebutanoic acid, 4-((1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl)pent-4-enoic acid
Technical Specifications
| Molecular Formula | C12H20O3 |
| Molecular Weight | 212.14125 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 212.14125 Da |
| Heavy Atoms | 15 |
| Complexity | 272.0 |
| SMILES | C[C@H]1[C@@H](CC[C@@]1(C)O)C(=C)CCC(=O)O |
| InChIKey | UVDOBBCUGANVBT-JBLDHEPKSA-N |
Chemical Property Profile of Chokolic acid B
Property Insights of Chokolic acid B
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chokolic acid B. With a topological polar surface area (TPSA) of 57.5 Ų, Chokolic acid B exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chokolic acid B has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Chokolic acid B?
The CAS number of Chokolic acid B is 125564-57-0.
What is the molecular formula of Chokolic acid B?
The molecular formula of Chokolic acid B is C12H20O3.
What is the molecular weight of Chokolic acid B?
The molecular weight of Chokolic acid B is 212.14125 g/mol.
Where can I buy Chokolic acid B?
You can request a quote for Chokolic acid B directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Chokolic acid B?
Yes, CoreyChem provides custom synthesis services for Chokolic acid B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.