METHYL ABIETATE
TL;DR: METHYL ABIETATE (CAS 127-25-3) is a chemical compound with molecular formula C21H32O2 and molecular weight 316.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R,4aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate
Also Known As: METHYL ABIETATE, Abitate de mthyle, Methyl abietate, technical, Abietic acid, methyl ester, Methyl 7,13-abietadien-18-oate
| Molecular Formula | C21H32O2 |
|---|---|
| Molecular Weight | 316.24 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.24023 |
| Heavy Atoms | 23 |
| Complexity | 556.0 |
Chemical Identifiers
| CAS Number | 127-25-3 |
|---|---|
| SMILES | CC(C)C1=CC2=CCC3[C@@](C2CC1)(CCC[C@@]3(C)C(=O)OC)C |
| InChIKey | OVXRPXGVKBHGQO-OWQMCBFZSA-N |
Product Overview
METHYL ABIETATE (CAS 127-25-3), with molecular formula C21H32O2 and molecular weight 316.24 g/mol. IUPAC: methyl (1R,4aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate.
Chemical Property Profile of METHYL ABIETATE
Property Insights of METHYL ABIETATE
The XLogP value of 5.1 indicates that METHYL ABIETATE 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 ABIETATE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, METHYL ABIETATE 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 ABIETATE?
The CAS number of METHYL ABIETATE is 127-25-3.
What is the molecular formula of METHYL ABIETATE?
The molecular formula of METHYL ABIETATE is C21H32O2.
What is the molecular weight of METHYL ABIETATE?
The molecular weight of METHYL ABIETATE is 316.24 g/mol.
Where can I buy METHYL ABIETATE?
You can request a quote for METHYL ABIETATE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for METHYL ABIETATE?
Yes, KEHONG BIO provides custom synthesis services for METHYL ABIETATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.