Deoxypulalide
TL;DR: Deoxypulalide (CAS 58772-81-9) is a chemical compound with molecular formula C21H24O6 and molecular weight 372.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-methyl-8-oxo-12-prop-1-en-2-yl-3,7,17-trioxatetracyclo[12.2.1.16,9.02,4]octadeca-1(16),9(18),14-triene-15-carboxylate
Also Known As: Pukalide, deoxypulalide, NCI60_001816, methyl isopropenyl-methyl-oxo-[?]carboxylate, 3,7,17-Trioxatetracyclo(12.2.1.16,9.02,4)octadeca-9(18),14,16-triene-15-carboxylic acid, 4-methyl-12-(1-methylethenyl)-8-oxo-, methyl ester, (2R,4S,6R,12S)-
| Molecular Formula | C21H24O6 |
|---|---|
| Molecular Weight | 372.16 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 78.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 372.1573 |
| Heavy Atoms | 27 |
| Complexity | 697.0 |
Chemical Identifiers
| CAS Number | 58772-81-9 |
|---|---|
| SMILES | CC(=C)C1CCC2=CC(CC3(C(O3)C4=CC(=C(C1)O4)C(=O)OC)C)OC2=O |
| InChIKey | PPHCYWKQJLNLQQ-UHFFFAOYSA-N |
Product Overview
Deoxypulalide (CAS 58772-81-9), with molecular formula C21H24O6 and molecular weight 372.16 g/mol. IUPAC: methyl 4-methyl-8-oxo-12-prop-1-en-2-yl-3,7,17-trioxatetracyclo[12.2.1.16,9.02,4]octadeca-1(16),9(18),14-triene-15-carboxylate.
Chemical Property Profile of Deoxypulalide
Property Insights of Deoxypulalide
The XLogP value of 3.4 indicates that Deoxypulalide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Deoxypulalide. Following Lipinski's Rule of Five, Deoxypulalide has 0 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 Deoxypulalide?
The CAS number of Deoxypulalide is 58772-81-9.
What is the molecular formula of Deoxypulalide?
The molecular formula of Deoxypulalide is C21H24O6.
What is the molecular weight of Deoxypulalide?
The molecular weight of Deoxypulalide is 372.16 g/mol.
Where can I buy Deoxypulalide?
You can request a quote for Deoxypulalide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Deoxypulalide?
Yes, KEHONG BIO provides custom synthesis services for Deoxypulalide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.