Methyl 12-hydroxyabieta-8(14),9(11),12-trien-18-oate
TL;DR: Methyl 12-hydroxyabieta-8(14),9(11),12-trien-18-oate (CAS 6341-63-5) is a chemical compound with molecular formula C21H30O3 and molecular weight 330.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-hydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
Also Known As: methyl 12-hydroxyabieta-8(14),9(11),12-trien-18-oate, Methyl 10Beta-12-hydroxy-13-isopropyl-dehydroabietate, 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-6-hydroxy-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, methyl 6-hydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate, METHYL 6-HYDROXY-7-ISOPROPYL-1,4A-DIMETHYL-2,3,4,9,10,10A-HEXAHYDROPHENANTHRENE-1-CARBOXYLATE
| Molecular Formula | C21H30O3 |
|---|---|
| Molecular Weight | 330.22 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.21948 |
| Heavy Atoms | 24 |
| Complexity | 487.0 |
Chemical Identifiers
| CAS Number | 6341-63-5 |
|---|---|
| SMILES | CC(C)C1=C(C=C2C(=C1)CCC3C2(CCCC3(C)C(=O)OC)C)O |
| InChIKey | LLPVUJKHELUZHR-UHFFFAOYSA-N |
Product Overview
Methyl 12-hydroxyabieta-8(14),9(11),12-trien-18-oate (CAS 6341-63-5), with molecular formula C21H30O3 and molecular weight 330.22 g/mol. IUPAC: methyl 6-hydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate.
Chemical Property Profile of Methyl 12-hydroxyabieta-8(14),9(11),12-trien-18-oate
Property Insights of Methyl 12-hydroxyabieta-8(14),9(11),12-trien-18-oate
The XLogP value of 5.6 indicates that Methyl 12-hydroxyabieta-8(14),9(11),12-trien-18-oate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Methyl 12-hydroxyabieta-8(14),9(11),12-trien-18-oate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 12-hydroxyabieta-8(14),9(11),12-trien-18-oate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 12-hydroxyabieta-8(14),9(11),12-trien-18-oate?
The CAS number of Methyl 12-hydroxyabieta-8(14),9(11),12-trien-18-oate is 6341-63-5.
What is the molecular formula of Methyl 12-hydroxyabieta-8(14),9(11),12-trien-18-oate?
The molecular formula of Methyl 12-hydroxyabieta-8(14),9(11),12-trien-18-oate is C21H30O3.
What is the molecular weight of Methyl 12-hydroxyabieta-8(14),9(11),12-trien-18-oate?
The molecular weight of Methyl 12-hydroxyabieta-8(14),9(11),12-trien-18-oate is 330.22 g/mol.
Where can I buy Methyl 12-hydroxyabieta-8(14),9(11),12-trien-18-oate?
You can request a quote for Methyl 12-hydroxyabieta-8(14),9(11),12-trien-18-oate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 12-hydroxyabieta-8(14),9(11),12-trien-18-oate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 12-hydroxyabieta-8(14),9(11),12-trien-18-oate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.