Methyl marasmate
TL;DR: Methyl marasmate (CAS 2213-00-5) is a chemical compound with molecular formula C16H20O4 and molecular weight 276.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1aR,3aS,6aS)-1a,2-diformyl-5,5-dimethyl-3a,4,6,6a-tetrahydro-1H-cyclopropa[e]indene-6b-carboxylate
Also Known As: Methyl marasmate, Marasmic acid methyl ester, Cycloprop(e)indene-6b(1H)-carboxylic acid, 1a,2-diformyl-1a,3a,4,5,6,6a-hexahydro-5,5-dimethyl-, methyl ester, (1aS-(1a-alpha,3a-beta,6a-beta,6b-alpha))-, 1a,2-Diformyl-1a,3a,4,5,6,6a-hexahydro-5,5-dimethylcycloprop[e]indene-6b(1H)-carboxylic acid methyl ester, methyl (1aR,3aS,6aS)-1a,2-diformyl-5,5-dimethyl-1a,3a,4,5,6,6a-hexahydrocyclopropa[e]indene-6b(1H)-carboxylate
| Molecular Formula | C16H20O4 |
|---|---|
| Molecular Weight | 276.14 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 276.13617 |
| Heavy Atoms | 20 |
| Complexity | 533.0 |
Chemical Identifiers
| CAS Number | 2213-00-5 |
|---|---|
| SMILES | CC1(C[C@H]2C=C([C@@]3(CC3([C@H]2C1)C(=O)OC)C=O)C=O)C |
| InChIKey | WWEGKHYWESCXOK-CCZPAOOHSA-N |
Product Overview
Methyl marasmate (CAS 2213-00-5), with molecular formula C16H20O4 and molecular weight 276.14 g/mol. IUPAC: methyl (1aR,3aS,6aS)-1a,2-diformyl-5,5-dimethyl-3a,4,6,6a-tetrahydro-1H-cyclopropa[e]indene-6b-carboxylate.
Chemical Property Profile of Methyl marasmate
Property Insights of Methyl marasmate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl marasmate. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl marasmate. Following Lipinski's Rule of Five, Methyl marasmate has 0 hydrogen bond donor(s) and 4 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 marasmate?
The CAS number of Methyl marasmate is 2213-00-5.
What is the molecular formula of Methyl marasmate?
The molecular formula of Methyl marasmate is C16H20O4.
What is the molecular weight of Methyl marasmate?
The molecular weight of Methyl marasmate is 276.14 g/mol.
Where can I buy Methyl marasmate?
You can request a quote for Methyl marasmate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl marasmate?
Yes, KEHONG BIO provides custom synthesis services for Methyl marasmate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.