7-Oxodehydroabietic acid, methyl ester
TL;DR: 7-Oxodehydroabietic acid, methyl ester (CAS 17751-36-9) is a chemical compound with molecular formula C21H28O3 and molecular weight 328.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1,4a-dimethyl-9-oxo-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate
Also Known As: methyl 7-oxodehydroabietate, 7-Oxodehydroabietic acid, methyl ester, Methylabieta-8,11,13-trien-7-on-19-oate, Methyl 7-oxoabieta-9(11),8(14),12-trien-18-oate #, methyl (1R,4aS,10aR)-1,4a-dimethyl-9-oxo-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate
| Molecular Formula | C21H28O3 |
|---|---|
| Molecular Weight | 328.20 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.20386 |
| Heavy Atoms | 24 |
| Complexity | 525.0 |
Chemical Identifiers
| CAS Number | 17751-36-9 |
|---|---|
| SMILES | CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2=O)(C)C(=O)OC)C |
| InChIKey | URPBIQPJABGDJD-UHFFFAOYSA-N |
Product Overview
7-Oxodehydroabietic acid, methyl ester (CAS 17751-36-9), with molecular formula C21H28O3 and molecular weight 328.20 g/mol. IUPAC: methyl 1,4a-dimethyl-9-oxo-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate.
Chemical Property Profile of 7-Oxodehydroabietic acid, methyl ester
Property Insights of 7-Oxodehydroabietic acid, methyl ester
The XLogP value of 4.8 indicates that 7-Oxodehydroabietic acid, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 7-Oxodehydroabietic acid, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Oxodehydroabietic acid, methyl ester has 0 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 7-Oxodehydroabietic acid, methyl ester?
The CAS number of 7-Oxodehydroabietic acid, methyl ester is 17751-36-9.
What is the molecular formula of 7-Oxodehydroabietic acid, methyl ester?
The molecular formula of 7-Oxodehydroabietic acid, methyl ester is C21H28O3.
What is the molecular weight of 7-Oxodehydroabietic acid, methyl ester?
The molecular weight of 7-Oxodehydroabietic acid, methyl ester is 328.20 g/mol.
Where can I buy 7-Oxodehydroabietic acid, methyl ester?
You can request a quote for 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 7-Oxodehydroabietic acid, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 7-Oxodehydroabietic acid, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.