2alpha,11-Dihydroxy-5,7,9(11),13-abietatetraen-12-one
TL;DR: 2alpha,11-Dihydroxy-5,7,9(11),13-abietatetraen-12-one (CAS 126006-07-3) is a chemical compound with molecular formula C21H30O4 and molecular weight 346.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-dihydroxy-5-methoxy-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
Also Known As: 2alpha,11-Dihydroxy-5,7,9(11),13-abietatetraen-12-one, 2,12-dihydroxy-11-methoxyabieta-8(14),9(11),12-trien-7-one, 3(4bH)-Phenanthrenone, 5,6,7,8,8a,9-hexahydro-6,10-dihydroxy-4-methoxy-4b,8,8-trimethyl-2-(1-methylethyl)-, (4bS-(4balpha,6beta,8abeta))-, 3,6-dihydroxy-5-methoxy-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
| Molecular Formula | C21H30O4 |
|---|---|
| Molecular Weight | 346.21 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 346.21442 |
| Heavy Atoms | 25 |
| Complexity | 528.0 |
Chemical Identifiers
| CAS Number | 126006-07-3 |
|---|---|
| SMILES | CC(C)C1=C(C(=C2C(=C1)C(=O)CC3C2(CC(CC3(C)C)O)C)OC)O |
| InChIKey | SSARVOPSNXIOIU-UHFFFAOYSA-N |
Product Overview
2alpha,11-Dihydroxy-5,7,9(11),13-abietatetraen-12-one (CAS 126006-07-3), with molecular formula C21H30O4 and molecular weight 346.21 g/mol. IUPAC: 3,6-dihydroxy-5-methoxy-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one.
Chemical Property Profile of 2alpha,11-Dihydroxy-5,7,9(11),13-abietatetraen-12-one
Property Insights of 2alpha,11-Dihydroxy-5,7,9(11),13-abietatetraen-12-one
The XLogP value of 4.1 indicates that 2alpha,11-Dihydroxy-5,7,9(11),13-abietatetraen-12-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2alpha,11-Dihydroxy-5,7,9(11),13-abietatetraen-12-one. Following Lipinski's Rule of Five, 2alpha,11-Dihydroxy-5,7,9(11),13-abietatetraen-12-one has 2 hydrogen bond donor(s) and 4 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 2alpha,11-Dihydroxy-5,7,9(11),13-abietatetraen-12-one?
The CAS number of 2alpha,11-Dihydroxy-5,7,9(11),13-abietatetraen-12-one is 126006-07-3.
What is the molecular formula of 2alpha,11-Dihydroxy-5,7,9(11),13-abietatetraen-12-one?
The molecular formula of 2alpha,11-Dihydroxy-5,7,9(11),13-abietatetraen-12-one is C21H30O4.
What is the molecular weight of 2alpha,11-Dihydroxy-5,7,9(11),13-abietatetraen-12-one?
The molecular weight of 2alpha,11-Dihydroxy-5,7,9(11),13-abietatetraen-12-one is 346.21 g/mol.
Where can I buy 2alpha,11-Dihydroxy-5,7,9(11),13-abietatetraen-12-one?
You can request a quote for 2alpha,11-Dihydroxy-5,7,9(11),13-abietatetraen-12-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2alpha,11-Dihydroxy-5,7,9(11),13-abietatetraen-12-one?
Yes, KEHONG BIO provides custom synthesis services for 2alpha,11-Dihydroxy-5,7,9(11),13-abietatetraen-12-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.