茉莉酮酸
TL;DR: 茉莉酮酸 (CAS 68940-76-1) is a chemical compound with molecular formula C12H18O3 and molecular weight 210.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
茉莉酮酸
2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid
Also Known As: Jasmonic acid, (-)-Jasmonic acid, Jasmonate, (+/-)-Jasmonic acid, trans-Jasmonic Acid
| Molecular Formula | C12H18O3 |
|---|---|
| Molecular Weight | 210.13 g/mol |
| LogP | 2.4127 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 210.1256 |
| Heavy Atoms | 15 |
| Complexity | 268.0408 |
Chemical Identifiers
| CAS Number | 68940-76-1 |
|---|---|
| SMILES | CC/C=C\C[C@@H]1[C@H](CCC1=O)CC(=O)O |
Product Overview
茉莉酮酸 (CAS 68940-76-1), with molecular formula C12H18O3 and molecular weight 210.13 g/mol. IUPAC: 2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid.
Chemical Property Profile of 茉莉酮酸
Property Insights of 茉莉酮酸
The XLogP value of 2.4127 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 茉莉酮酸. With a topological polar surface area (TPSA) of 54.37 Ų, 茉莉酮酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 茉莉酮酸 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 茉莉酮酸?
The CAS number of 茉莉酮酸 is 68940-76-1.
What is the molecular formula of 茉莉酮酸?
The molecular formula of 茉莉酮酸 is C12H18O3.
What is the molecular weight of 茉莉酮酸?
The molecular weight of 茉莉酮酸 is 210.13 g/mol.
Where can I buy 茉莉酮酸?
You can request a quote for 茉莉酮酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 茉莉酮酸?
Yes, KEHONG BIO provides custom synthesis services for 茉莉酮酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.