邻香草基甲醚
TL;DR: 邻香草基甲醚 (CAS 1137-24-2) is a chemical compound with molecular formula C15H20O6 and molecular weight 296.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
邻香草基甲醚
2-[(1R,4aR,8S,8aR)-8-hydroxy-7-methoxy-8a-(methoxymethyl)-5-oxo-1,4,4a,8-tetrahydronaphthalen-1-yl]acetic acid
Also Known As: o-vanillyl methyl ether, KST-1A0641, [(1r,4ar,8s,8ar)-8-hydroxy-7-methoxy-8a-(methoxymethyl)-5-oxo-1,4,4a,5,8,8a-hexahydronaphthalen-1-yl]acetic acid, 1-Naphthaleneacetic acid, 1,4,4a,5,8,8a-hexahydro-8-hydroxy-7-methoxy-8a-(methoxymethyl)-5-oxo-, (1alpha,4aalpha,8beta,8abeta)-, ((1R,4aR,8S,8aR)-8-Hydroxy-7-methoxy-8a-methoxymethyl-5-oxo-1,4,4a,5,8,8a-hexahydro-naphthalen-1-yl)-acetic acid
| Molecular Formula | C15H20O6 |
|---|---|
| Molecular Weight | 296.13 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 296.12598 |
| Heavy Atoms | 21 |
| Complexity | 494.0 |
Chemical Identifiers
| CAS Number | 1137-24-2 |
|---|---|
| SMILES | COC[C@]12[C@@H](CC=C[C@H]1CC(=O)O)C(=O)C=C([C@H]2O)OC |
| InChIKey | CEIPLNGGOXMZKG-NBLIUIFLSA-N |
Product Overview
邻香草基甲醚 (CAS 1137-24-2), with molecular formula C15H20O6 and molecular weight 296.13 g/mol. IUPAC: 2-[(1R,4aR,8S,8aR)-8-hydroxy-7-methoxy-8a-(methoxymethyl)-5-oxo-1,4,4a,8-tetrahydronaphthalen-1-yl]acetic acid.
Chemical Property Profile of 邻香草基甲醚
Property Insights of 邻香草基甲醚
The XLogP value of -0.4 indicates that 邻香草基甲醚 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 邻香草基甲醚. Following Lipinski's Rule of Five, 邻香草基甲醚 has 2 hydrogen bond donor(s) and 6 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 邻香草基甲醚?
The CAS number of 邻香草基甲醚 is 1137-24-2.
What is the molecular formula of 邻香草基甲醚?
The molecular formula of 邻香草基甲醚 is C15H20O6.
What is the molecular weight of 邻香草基甲醚?
The molecular weight of 邻香草基甲醚 is 296.13 g/mol.
Where can I buy 邻香草基甲醚?
You can request a quote for 邻香草基甲醚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 邻香草基甲醚?
Yes, KEHONG BIO provides custom synthesis services for 邻香草基甲醚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.