(-)-茉莉酸
TL;DR: (-)-茉莉酸 (CAS 6894-38-8) 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.
(-)-茉莉酸
2-[(1R,2R)-3-oxo-2-pent-2-enylcyclopentyl]acetic acid
Also Known As: Jasmonic acid, trans-Jasmonic Acid, (-)-Jasmonic acid, 2-[(1R,2R)-3-oxo-2-pent-2-enylcyclopentyl]acetic acid, 2-((1R,2R)-2-((Z)-But-2-en-1-yl)-4-oxocyclopentyl)acetic acid
| Molecular Formula | C12H18O3 |
|---|---|
| Molecular Weight | 210.13 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 210.1256 |
| Heavy Atoms | 15 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 6894-38-8 |
|---|---|
| SMILES | CCC=CC[C@@H]1[C@H](CCC1=O)CC(=O)O |
| InChIKey | ZNJFBWYDHIGLCU-NXEZZACHSA-N |
Product Overview
(-)-茉莉酸 (CAS 6894-38-8), with molecular formula C12H18O3 and molecular weight 210.13 g/mol. IUPAC: 2-[(1R,2R)-3-oxo-2-pent-2-enylcyclopentyl]acetic acid.
Chemical Property Profile of (-)-茉莉酸
Property Insights of (-)-茉莉酸
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (-)-茉莉酸. With a topological polar surface area (TPSA) of 54.4 Ų, (-)-茉莉酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (-)-茉莉酸 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 (-)-茉莉酸?
The CAS number of (-)-茉莉酸 is 6894-38-8.
What is the molecular formula of (-)-茉莉酸?
The molecular formula of (-)-茉莉酸 is C12H18O3.
What is the molecular weight of (-)-茉莉酸?
The molecular weight of (-)-茉莉酸 is 210.13 g/mol.
Where can I buy (-)-茉莉酸?
You can request a quote for (-)-茉莉酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (-)-茉莉酸?
Yes, KEHONG BIO provides custom synthesis services for (-)-茉莉酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.