Neoabietinol
TL;DR: Neoabietinol (CAS 640-42-6) is a chemical compound with molecular formula C20H32O and molecular weight 288.25 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-phenanthren-1-yl]methanol
Also Known As: Neoabietinol, Neoabietol, Abieta-8(14),13(15)-dien-18-ol, [(1R,4aR,4bS,10aR)-1,4a-dimethyl-7-propan-2-ylidene-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthren-1-yl]methanol, (1R)-1,2,3,4,4a,4balpha,5,6,7,9,10,10aalpha-Dodecahydro-1,4abeta-dimethyl-7-isopropylidene-1alpha-phenanthrenemethanol
| Molecular Formula | C20H32O |
|---|---|
| Molecular Weight | 288.25 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 288.24533 |
| Heavy Atoms | 21 |
| Complexity | 482.0 |
Chemical Identifiers
| CAS Number | 640-42-6 |
|---|---|
| SMILES | CC(=C1CC[C@H]2C(=C1)CC[C@@H]3[C@@]2(CCC[C@@]3(C)CO)C)C |
| InChIKey | MUBMRBNHMHINMF-LWYYNNOASA-N |
Product Overview
Neoabietinol (CAS 640-42-6), with molecular formula C20H32O and molecular weight 288.25 g/mol. IUPAC: [(1R,4aR,4bS,10aR)-1,4a-dimethyl-7-propan-2-ylidene-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthren-1-yl]methanol.
Chemical Property Profile of Neoabietinol
Property Insights of Neoabietinol
The XLogP value of 5.2 indicates that Neoabietinol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, Neoabietinol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Neoabietinol has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Neoabietinol?
The CAS number of Neoabietinol is 640-42-6.
What is the molecular formula of Neoabietinol?
The molecular formula of Neoabietinol is C20H32O.
What is the molecular weight of Neoabietinol?
The molecular weight of Neoabietinol is 288.25 g/mol.
Where can I buy Neoabietinol?
You can request a quote for Neoabietinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neoabietinol?
Yes, KEHONG BIO provides custom synthesis services for Neoabietinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.