methyl 2-hydroxy-4-propargyloxybenzoate
TL;DR: methyl 2-hydroxy-4-propargyloxybenzoate (CAS 84667-04-9) is a chemical compound with molecular formula C24H34O5 and molecular weight 402.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,3R,6R,10R)-10-acetyloxy-9-formyl-2-(6-methylhept-5-en-2-yl)-5-methylidene-3-bicyclo[4.3.1]dec-8-enyl] acetate
Also Known As: methyl 2-hydroxy-4-propargyloxybenzoate, Bicyclo(4.3.1)dec-7-ene-7-carboxaldehyde, 4,10-bis(acetyloxy)-5-((1R)-1,5-dimethyl-4-hexenyl)-2-methylene-, (1S,4R,5S,6S,10R)-, [(1R,4R,5S,6S,10R)-10-acetyloxy-7-formyl-5-(6-methylhept-5-en-2-yl)-2-methylidene-4-bicyclo[4.3.1]dec-7-enyl] acetate, (1S,2S,3R,6R,10R)-9-Formyl-2-(6-methylhept-5-en-2-yl)-5-methylidenebicyclo[4.3.1]dec-8-ene-3,10-diyl diacetate, 9-Formyl-2-(6-methylhept-5-en-2-yl)-5-methylidenebicyclo[4.3.1]dec-8-ene-3,10-diyl diacetate
| Molecular Formula | C24H34O5 |
|---|---|
| Molecular Weight | 402.24 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 402.24063 |
| Heavy Atoms | 29 |
| Complexity | 713.0 |
Chemical Identifiers
| CAS Number | 84667-04-9 |
|---|---|
| SMILES | CC(CCC=C(C)C)[C@@H]1[C@@H](CC(=C)[C@H]2CC=C([C@H]1[C@@H]2OC(=O)C)C=O)OC(=O)C |
| InChIKey | CGDIUXZRULKLSB-ZAQSNBSASA-N |
Product Overview
methyl 2-hydroxy-4-propargyloxybenzoate (CAS 84667-04-9), with molecular formula C24H34O5 and molecular weight 402.24 g/mol. IUPAC: [(1S,2S,3R,6R,10R)-10-acetyloxy-9-formyl-2-(6-methylhept-5-en-2-yl)-5-methylidene-3-bicyclo[4.3.1]dec-8-enyl] acetate.
Chemical Property Profile of methyl 2-hydroxy-4-propargyloxybenzoate
Property Insights of methyl 2-hydroxy-4-propargyloxybenzoate
The XLogP value of 4.4 indicates that methyl 2-hydroxy-4-propargyloxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-hydroxy-4-propargyloxybenzoate. Following Lipinski's Rule of Five, methyl 2-hydroxy-4-propargyloxybenzoate has 0 hydrogen bond donor(s) and 5 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 methyl 2-hydroxy-4-propargyloxybenzoate?
The CAS number of methyl 2-hydroxy-4-propargyloxybenzoate is 84667-04-9.
What is the molecular formula of methyl 2-hydroxy-4-propargyloxybenzoate?
The molecular formula of methyl 2-hydroxy-4-propargyloxybenzoate is C24H34O5.
What is the molecular weight of methyl 2-hydroxy-4-propargyloxybenzoate?
The molecular weight of methyl 2-hydroxy-4-propargyloxybenzoate is 402.24 g/mol.
Where can I buy methyl 2-hydroxy-4-propargyloxybenzoate?
You can request a quote for methyl 2-hydroxy-4-propargyloxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-hydroxy-4-propargyloxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-hydroxy-4-propargyloxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.