15-Hydroxy-7-oxodehydroabietic acid, methyl ester
TL;DR: 15-Hydroxy-7-oxodehydroabietic acid, methyl ester (CAS 60188-95-6) is a chemical compound with molecular formula C21H28O4 and molecular weight 344.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate
Also Known As: Methyl 15-hydroxy-7-oxodehydroabietate, 15-Hydroxy-7-oxodehydroabietic acid, methyl ester, Methyl 15-hydroxy-7-oxoabieta-9(11),8(14),12-trien-18-oate, Methyl 15-hydroxy-7-oxoabieta-9(11),8(14),12-trien-18-oate #, methyl 7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate
| Molecular Formula | C21H28O4 |
|---|---|
| Molecular Weight | 344.20 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 344.19876 |
| Heavy Atoms | 25 |
| Complexity | 568.0 |
Chemical Identifiers
| CAS Number | 60188-95-6 |
|---|---|
| SMILES | CC12CCCC(C1CC(=O)C3=C2C=CC(=C3)C(C)(C)O)(C)C(=O)OC |
| InChIKey | VGWVMAMFNRSDED-UHFFFAOYSA-N |
Product Overview
15-Hydroxy-7-oxodehydroabietic acid, methyl ester (CAS 60188-95-6), with molecular formula C21H28O4 and molecular weight 344.20 g/mol. IUPAC: methyl 7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate.
Chemical Property Profile of 15-Hydroxy-7-oxodehydroabietic acid, methyl ester
Property Insights of 15-Hydroxy-7-oxodehydroabietic acid, methyl ester
The XLogP value of 3.4 indicates that 15-Hydroxy-7-oxodehydroabietic acid, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 15-Hydroxy-7-oxodehydroabietic acid, methyl ester. Following Lipinski's Rule of Five, 15-Hydroxy-7-oxodehydroabietic acid, methyl ester 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 15-Hydroxy-7-oxodehydroabietic acid, methyl ester?
The CAS number of 15-Hydroxy-7-oxodehydroabietic acid, methyl ester is 60188-95-6.
What is the molecular formula of 15-Hydroxy-7-oxodehydroabietic acid, methyl ester?
The molecular formula of 15-Hydroxy-7-oxodehydroabietic acid, methyl ester is C21H28O4.
What is the molecular weight of 15-Hydroxy-7-oxodehydroabietic acid, methyl ester?
The molecular weight of 15-Hydroxy-7-oxodehydroabietic acid, methyl ester is 344.20 g/mol.
Where can I buy 15-Hydroxy-7-oxodehydroabietic acid, methyl ester?
You can request a quote for 15-Hydroxy-7-oxodehydroabietic acid, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 15-Hydroxy-7-oxodehydroabietic acid, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 15-Hydroxy-7-oxodehydroabietic acid, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.