endo-5-Methylendothal
TL;DR: endo-5-Methylendothal (CAS 109282-30-6) is a chemical compound with molecular formula C9H12O5 and molecular weight 200.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2R,3S,4S,5S)-5-methyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
Also Known As: endo-5-Methylendothal, (2-exo,3-exo,5-endo)-5-Methyl-7-oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, 5-methyl-, (2-exo,3-exo,5-endo)-, 5-Methyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, (1R,2R,3S,4S,5S)-5-methyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
| Molecular Formula | C9H12O5 |
|---|---|
| Molecular Weight | 200.07 g/mol |
| LogP | 0.1952 |
| Topological Polar Surface Area | 83.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.06847 |
| Heavy Atoms | 14 |
| Complexity | 286.9269 |
Chemical Identifiers
| CAS Number | 109282-30-6 |
|---|---|
| SMILES | C[C@H]1C[C@@H]2[C@@H]([C@@H]([C@H]1O2)C(=O)O)C(=O)O |
Product Overview
endo-5-Methylendothal (CAS 109282-30-6), with molecular formula C9H12O5 and molecular weight 200.07 g/mol. IUPAC: (1R,2R,3S,4S,5S)-5-methyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid.
Chemical Property Profile of endo-5-Methylendothal
Property Insights of endo-5-Methylendothal
The XLogP value of 0.1952 suggests moderate lipophilicity, balancing water solubility and membrane permeability for endo-5-Methylendothal. The TPSA of 83.83 Ų falls within the moderate polarity range, balancing permeability and solubility for endo-5-Methylendothal. Following Lipinski's Rule of Five, endo-5-Methylendothal has 2 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 endo-5-Methylendothal?
The CAS number of endo-5-Methylendothal is 109282-30-6.
What is the molecular formula of endo-5-Methylendothal?
The molecular formula of endo-5-Methylendothal is C9H12O5.
What is the molecular weight of endo-5-Methylendothal?
The molecular weight of endo-5-Methylendothal is 200.07 g/mol.
Where can I buy endo-5-Methylendothal?
You can request a quote for endo-5-Methylendothal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for endo-5-Methylendothal?
Yes, KEHONG BIO provides custom synthesis services for endo-5-Methylendothal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.