12-Hydroxyabieta-8(14),9(11),12-triene-18-nitrile
TL;DR: 12-Hydroxyabieta-8(14),9(11),12-triene-18-nitrile (CAS 42908-33-8) is a chemical compound with molecular formula C20H27NO and molecular weight 297.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbonitrile
Also Known As: 12-hydroxyabieta-8(14),9(11),12-triene-18-nitrile, 6-hydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbonitrile
| Molecular Formula | C20H27NO |
|---|---|
| Molecular Weight | 297.21 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 44.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 297.20926 |
| Heavy Atoms | 22 |
| Complexity | 477.0 |
Chemical Identifiers
| CAS Number | 42908-33-8 |
|---|---|
| SMILES | CC(C)C1=C(C=C2C(=C1)CCC3C2(CCCC3(C)C#N)C)O |
| InChIKey | IQQSINFYEICOOL-UHFFFAOYSA-N |
Product Overview
12-Hydroxyabieta-8(14),9(11),12-triene-18-nitrile (CAS 42908-33-8), with molecular formula C20H27NO and molecular weight 297.21 g/mol. IUPAC: 6-hydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbonitrile.
Chemical Property Profile of 12-Hydroxyabieta-8(14),9(11),12-triene-18-nitrile
Property Insights of 12-Hydroxyabieta-8(14),9(11),12-triene-18-nitrile
The XLogP value of 5.4 indicates that 12-Hydroxyabieta-8(14),9(11),12-triene-18-nitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.0 Ų, 12-Hydroxyabieta-8(14),9(11),12-triene-18-nitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12-Hydroxyabieta-8(14),9(11),12-triene-18-nitrile has 1 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 12-Hydroxyabieta-8(14),9(11),12-triene-18-nitrile?
The CAS number of 12-Hydroxyabieta-8(14),9(11),12-triene-18-nitrile is 42908-33-8.
What is the molecular formula of 12-Hydroxyabieta-8(14),9(11),12-triene-18-nitrile?
The molecular formula of 12-Hydroxyabieta-8(14),9(11),12-triene-18-nitrile is C20H27NO.
What is the molecular weight of 12-Hydroxyabieta-8(14),9(11),12-triene-18-nitrile?
The molecular weight of 12-Hydroxyabieta-8(14),9(11),12-triene-18-nitrile is 297.21 g/mol.
Where can I buy 12-Hydroxyabieta-8(14),9(11),12-triene-18-nitrile?
You can request a quote for 12-Hydroxyabieta-8(14),9(11),12-triene-18-nitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-Hydroxyabieta-8(14),9(11),12-triene-18-nitrile?
Yes, KEHONG BIO provides custom synthesis services for 12-Hydroxyabieta-8(14),9(11),12-triene-18-nitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.