Neoabietal
TL;DR: Neoabietal (CAS 19898-57-8) 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,4bS,10aR)-1,4a-dimethyl-7-propan-2-ylidene-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carbaldehyde
Also Known As: Neoabietal, Neoabietinal, Abieta-8(14),13(15)-dien-18-al, (1R,4aR,4bS,10aR)-1,4a-dimethyl-7-propan-2-ylidene-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carbaldehyde, (1R)-1,2,3,4,4a,4balpha,5,6,7,9,10,10aalpha-Dodecahydro-1,4abeta-dimethyl-7-isopropylidene-1alpha-phenanthrenecarbaldehyde
| Molecular Formula | C20H30O |
|---|---|
| Molecular Weight | 286.23 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 286.22968 |
| Heavy Atoms | 21 |
| Complexity | 508.0 |
Chemical Identifiers
| CAS Number | 19898-57-8 |
|---|---|
| SMILES | CC(=C1CC[C@H]2C(=C1)CC[C@@H]3[C@@]2(CCC[C@@]3(C)C=O)C)C |
| InChIKey | JPCTZWFFRZZTMM-LWYYNNOASA-N |
Product Overview
Neoabietal (CAS 19898-57-8), with molecular formula C20H30O and molecular weight 286.23 g/mol. IUPAC: (1R,4aR,4bS,10aR)-1,4a-dimethyl-7-propan-2-ylidene-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carbaldehyde.
Chemical Property Profile of Neoabietal
Property Insights of Neoabietal
The XLogP value of 5.0 indicates that Neoabietal is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Neoabietal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Neoabietal 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 Neoabietal?
The CAS number of Neoabietal is 19898-57-8.
What is the molecular formula of Neoabietal?
The molecular formula of Neoabietal is C20H30O.
What is the molecular weight of Neoabietal?
The molecular weight of Neoabietal is 286.23 g/mol.
Where can I buy Neoabietal?
You can request a quote for Neoabietal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neoabietal?
Yes, KEHONG BIO provides custom synthesis services for Neoabietal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.