Methyl Dehydroabietate
TL;DR: Methyl Dehydroabietate (CAS 1235-74-1) 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 (1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
Also Known As: METHYL DEHYDROABIETATE, Methyl dehydroabietyate, Dehydroabietic acid methyl, Dehydroabietinsauremethylester, (1R,4aS,10aR)-methyl 7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylate
| Molecular Formula | C21H30O2 |
|---|---|
| Molecular Weight | 314.22 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.22458 |
| Heavy Atoms | 23 |
| Complexity | 457.0 |
Chemical Identifiers
| CAS Number | 1235-74-1 |
|---|---|
| SMILES | CC(C)C1=CC2=C(C=C1)[C@]3(CCC[C@@]([C@@H]3CC2)(C)C(=O)OC)C |
| InChIKey | PGZCJOPTDHWYES-HMXCVIKNSA-N |
Product Overview
Methyl Dehydroabietate (CAS 1235-74-1), with molecular formula C21H30O2 and molecular weight 314.22 g/mol. IUPAC: methyl (1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate.
Chemical Property Profile of Methyl Dehydroabietate
Property Insights of Methyl Dehydroabietate
The XLogP value of 5.9 indicates that Methyl Dehydroabietate 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 Dehydroabietate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl Dehydroabietate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl Dehydroabietate?
The CAS number of Methyl Dehydroabietate is 1235-74-1.
What is the molecular formula of Methyl Dehydroabietate?
The molecular formula of Methyl Dehydroabietate is C21H30O2.
What is the molecular weight of Methyl Dehydroabietate?
The molecular weight of Methyl Dehydroabietate is 314.22 g/mol.
Where can I buy Methyl Dehydroabietate?
You can request a quote for Methyl Dehydroabietate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl Dehydroabietate?
Yes, KEHONG BIO provides custom synthesis services for Methyl Dehydroabietate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.