Abietinal
TL;DR: Abietinal (CAS 6704-50-3) is a chemical compound with molecular formula C20H30O and molecular weight 286.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbaldehyde
Also Known As: Abietal, Abietinal, Abietaldehyde, abietadienal, abieta-7,13-dien-18-al
| Molecular Formula | C20H30O |
|---|---|
| Molecular Weight | 286.23 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.22968 |
| Heavy Atoms | 21 |
| Complexity | 498.0 |
Chemical Identifiers
| CAS Number | 6704-50-3 |
|---|---|
| SMILES | CC(C)C1=CC2=CC[C@H]3[C@](CCC[C@@]3([C@H]2CC1)C)(C)C=O |
| InChIKey | HOFSYSONRIGEAC-LWYYNNOASA-N |
Product Overview
Abietinal (CAS 6704-50-3), with molecular formula C20H30O and molecular weight 286.23 g/mol. IUPAC: (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbaldehyde.
Chemical Property Profile of Abietinal
Property Insights of Abietinal
The XLogP value of 4.7 indicates that Abietinal is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Abietinal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Abietinal has 0 hydrogen bond donor(s) and 1 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 Abietinal?
The CAS number of Abietinal is 6704-50-3.
What is the molecular formula of Abietinal?
The molecular formula of Abietinal is C20H30O.
What is the molecular weight of Abietinal?
The molecular weight of Abietinal is 286.23 g/mol.
Where can I buy Abietinal?
You can request a quote for Abietinal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Abietinal?
Yes, KEHONG BIO provides custom synthesis services for Abietinal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.