茉莉酸甲酯
TL;DR: 茉莉酸甲酯 (CAS 1211-29-6) is a chemical compound with molecular formula C13H20O3 and molecular weight 224.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
茉莉酸甲酯
methyl 2-[(1R,2R)-3-oxo-2-pent-2-enylcyclopentyl]acetate
Also Known As: Methyl jasmonate, (-)-Methyl jasmonate, methyl 2-[(1R,2R)-3-oxo-2-[(E)-pent-2-enyl]cyclopentyl]acetate, Methyl 2-((1R,2R)-3-oxo-2-((Z)-pent-2-en-1-yl)cyclopentyl)acetate
| Molecular Formula | C13H20O3 |
|---|---|
| Molecular Weight | 224.14 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 224.14125 |
| Heavy Atoms | 16 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 1211-29-6 |
|---|---|
| SMILES | CCC=CC[C@@H]1[C@H](CCC1=O)CC(=O)OC |
| InChIKey | GEWDNTWNSAZUDX-GHMZBOCLSA-N |
Product Overview
茉莉酸甲酯 (CAS 1211-29-6), with molecular formula C13H20O3 and molecular weight 224.14 g/mol. IUPAC: methyl 2-[(1R,2R)-3-oxo-2-pent-2-enylcyclopentyl]acetate.
Chemical Property Profile of 茉莉酸甲酯
Property Insights of 茉莉酸甲酯
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 茉莉酸甲酯. With a topological polar surface area (TPSA) of 43.4 Ų, 茉莉酸甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 茉莉酸甲酯 has 0 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 茉莉酸甲酯?
The CAS number of 茉莉酸甲酯 is 1211-29-6.
What is the molecular formula of 茉莉酸甲酯?
The molecular formula of 茉莉酸甲酯 is C13H20O3.
What is the molecular weight of 茉莉酸甲酯?
The molecular weight of 茉莉酸甲酯 is 224.14 g/mol.
Where can I buy 茉莉酸甲酯?
You can request a quote for 茉莉酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 茉莉酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 茉莉酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.