Dimethyl shelloate
TL;DR: Dimethyl shelloate (CAS 98818-77-0) is a chemical compound with molecular formula C17H24O6 and molecular weight 324.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 10-hydroxy-6-(hydroxymethyl)-6-methyltricyclo[5.3.1.01,5]undec-8-ene-2,8-dicarboxylate
Also Known As: Dimethyl shelloate, 661-219-0, RefChem:588313
| Molecular Formula | C17H24O6 |
|---|---|
| Molecular Weight | 324.16 g/mol |
| LogP | 0.6644 |
| Topological Polar Surface Area | 93.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.1573 |
| Heavy Atoms | 23 |
| Complexity | 569.4309 |
Chemical Identifiers
| CAS Number | 98818-77-0 |
|---|---|
| SMILES | CC1(C2CCC(C23CC1C(=CC3O)C(=O)OC)C(=O)OC)CO |
Product Overview
Dimethyl shelloate (CAS 98818-77-0), with molecular formula C17H24O6 and molecular weight 324.16 g/mol. IUPAC: dimethyl 10-hydroxy-6-(hydroxymethyl)-6-methyltricyclo[5.3.1.01,5]undec-8-ene-2,8-dicarboxylate.
Chemical Property Profile of Dimethyl shelloate
Property Insights of Dimethyl shelloate
The XLogP value of 0.6644 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl shelloate. The TPSA of 93.06 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl shelloate. Following Lipinski's Rule of Five, Dimethyl shelloate 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 Dimethyl shelloate?
The CAS number of Dimethyl shelloate is 98818-77-0.
What is the molecular formula of Dimethyl shelloate?
The molecular formula of Dimethyl shelloate is C17H24O6.
What is the molecular weight of Dimethyl shelloate?
The molecular weight of Dimethyl shelloate is 324.16 g/mol.
Where can I buy Dimethyl shelloate?
You can request a quote for Dimethyl shelloate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl shelloate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl shelloate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.