Methyl 9beta-hydroxymarasmate
TL;DR: Methyl 9beta-hydroxymarasmate (CAS 134439-69-3) is a chemical compound with molecular formula C16H20O5 and molecular weight 292.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1aR,3aR,6aR,6bS)-1a,2-diformyl-3a-hydroxy-5,5-dimethyl-1,4,6,6a-tetrahydrocyclopropa[e]indene-6b-carboxylate
Also Known As: Methyl 9beta-hydroxymarasmate, Cycloprop(e)indene-6b(1H)-carboxylic acid, 1a,2-diformyl-1a,3a,4,5,6,6a-hexahydro-3a-hydroxy-5,5-dimethyl-, methyl ester, (1aR-(1aalpha,3abeta,6abeta,6balpha))-, (1aalpha,3abeta,6abeta,6balpha)-1a,2-Diformyl-3a-hydroxy-1,1a,3a,4,5,6,6a,6b-octahydro-5,5-dimethylcycloprop[e]indene-6b-carboxylic acid methyl ester, methyl (1aR,3aR,6aR,6bS)-1a,2-diformyl-3a-hydroxy-5,5-dimethyl-1,4,6,6a-tetrahydrocyclopropa[e]indene-6b-carboxylate, Methyl (1aR,3aR,6aR,6bS)-1a,2-diformyl-3a-hydroxy-5,5-dimethyl-1a,3a,4,5,6,6a-hexahydrocyclopropa[e]indene-6b(1H)-carboxylate
| Molecular Formula | C16H20O5 |
|---|---|
| Molecular Weight | 292.13 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 292.13107 |
| Heavy Atoms | 21 |
| Complexity | 577.0 |
Chemical Identifiers
| CAS Number | 134439-69-3 |
|---|---|
| SMILES | CC1(C[C@@H]2[C@]3(C[C@]3(C(=C[C@@]2(C1)O)C=O)C=O)C(=O)OC)C |
| InChIKey | BIONXFPWJWIGBO-BJKJVOPESA-N |
Product Overview
Methyl 9beta-hydroxymarasmate (CAS 134439-69-3), with molecular formula C16H20O5 and molecular weight 292.13 g/mol. IUPAC: methyl (1aR,3aR,6aR,6bS)-1a,2-diformyl-3a-hydroxy-5,5-dimethyl-1,4,6,6a-tetrahydrocyclopropa[e]indene-6b-carboxylate.
Chemical Property Profile of Methyl 9beta-hydroxymarasmate
Property Insights of Methyl 9beta-hydroxymarasmate
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 9beta-hydroxymarasmate. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 9beta-hydroxymarasmate. Following Lipinski's Rule of Five, Methyl 9beta-hydroxymarasmate has 1 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 9beta-hydroxymarasmate?
The CAS number of Methyl 9beta-hydroxymarasmate is 134439-69-3.
What is the molecular formula of Methyl 9beta-hydroxymarasmate?
The molecular formula of Methyl 9beta-hydroxymarasmate is C16H20O5.
What is the molecular weight of Methyl 9beta-hydroxymarasmate?
The molecular weight of Methyl 9beta-hydroxymarasmate is 292.13 g/mol.
Where can I buy Methyl 9beta-hydroxymarasmate?
You can request a quote for Methyl 9beta-hydroxymarasmate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 9beta-hydroxymarasmate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 9beta-hydroxymarasmate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.