Methyl 7-hydroperoxypodocarpa-8(14),9(11),12-trien-15-oate
TL;DR: Methyl 7-hydroperoxypodocarpa-8(14),9(11),12-trien-15-oate (CAS 5395-87-9) is a chemical compound with molecular formula C18H24O4 and molecular weight 304.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 9-hydroperoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
Also Known As: Methyl 7-hydroperoxypodocarpa-8(14),9(11),12-trien-15-oate, methyl 9-hydroperoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
| Molecular Formula | C18H24O4 |
|---|---|
| Molecular Weight | 304.17 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 304.16745 |
| Heavy Atoms | 22 |
| Complexity | 437.0 |
Chemical Identifiers
| CAS Number | 5395-87-9 |
|---|---|
| SMILES | CC12CCCC(C1CC(C3=CC=CC=C23)OO)(C)C(=O)OC |
| InChIKey | XPAMSYAPKVCVJF-UHFFFAOYSA-N |
Product Overview
Methyl 7-hydroperoxypodocarpa-8(14),9(11),12-trien-15-oate (CAS 5395-87-9), with molecular formula C18H24O4 and molecular weight 304.17 g/mol. IUPAC: methyl 9-hydroperoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate.
Chemical Property Profile of Methyl 7-hydroperoxypodocarpa-8(14),9(11),12-trien-15-oate
Property Insights of Methyl 7-hydroperoxypodocarpa-8(14),9(11),12-trien-15-oate
The XLogP value of 3.5 indicates that Methyl 7-hydroperoxypodocarpa-8(14),9(11),12-trien-15-oate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, Methyl 7-hydroperoxypodocarpa-8(14),9(11),12-trien-15-oate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 7-hydroperoxypodocarpa-8(14),9(11),12-trien-15-oate has 1 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 7-hydroperoxypodocarpa-8(14),9(11),12-trien-15-oate?
The CAS number of Methyl 7-hydroperoxypodocarpa-8(14),9(11),12-trien-15-oate is 5395-87-9.
What is the molecular formula of Methyl 7-hydroperoxypodocarpa-8(14),9(11),12-trien-15-oate?
The molecular formula of Methyl 7-hydroperoxypodocarpa-8(14),9(11),12-trien-15-oate is C18H24O4.
What is the molecular weight of Methyl 7-hydroperoxypodocarpa-8(14),9(11),12-trien-15-oate?
The molecular weight of Methyl 7-hydroperoxypodocarpa-8(14),9(11),12-trien-15-oate is 304.17 g/mol.
Where can I buy Methyl 7-hydroperoxypodocarpa-8(14),9(11),12-trien-15-oate?
You can request a quote for Methyl 7-hydroperoxypodocarpa-8(14),9(11),12-trien-15-oate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 7-hydroperoxypodocarpa-8(14),9(11),12-trien-15-oate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 7-hydroperoxypodocarpa-8(14),9(11),12-trien-15-oate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.