Methyl dehydroabietyate
TL;DR: Methyl dehydroabietyate (CAS 1217516-83-0) is a chemical compound with molecular formula C21H30O2 and molecular weight 314.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1S)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
Also Known As: Methyl dehydroabietyate, ChemDiv3_006109, IDI1_024019, AB01315731-02, Methyl abieta-8(14),9(11),12-trien-18-oate
| Molecular Formula | C21H30O2 |
|---|---|
| Molecular Weight | 314.22 g/mol |
| LogP | 4.9933 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 314.22458 |
| Heavy Atoms | 23 |
| Complexity | 618.26764 |
Chemical Identifiers
| CAS Number | 1217516-83-0 |
|---|---|
| SMILES | CC(C)C1=CC2=C(C=C1)C3(CCC[C@](C3CC2)(C)C(=O)OC)C |
Product Overview
Methyl dehydroabietyate (CAS 1217516-83-0), with molecular formula C21H30O2 and molecular weight 314.22 g/mol. IUPAC: methyl (1S)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate.
Chemical Property Profile of Methyl dehydroabietyate
Property Insights of Methyl dehydroabietyate
The XLogP value of 4.9933 indicates that Methyl dehydroabietyate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl dehydroabietyate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl dehydroabietyate has 0 hydrogen bond donor(s) and 2 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 dehydroabietyate?
The CAS number of Methyl dehydroabietyate is 1217516-83-0.
What is the molecular formula of Methyl dehydroabietyate?
The molecular formula of Methyl dehydroabietyate is C21H30O2.
What is the molecular weight of Methyl dehydroabietyate?
The molecular weight of Methyl dehydroabietyate is 314.22 g/mol.
Where can I buy Methyl dehydroabietyate?
You can request a quote for Methyl dehydroabietyate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl dehydroabietyate?
Yes, KEHONG BIO provides custom synthesis services for Methyl dehydroabietyate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.