2alpha,7,11-Trihydroxy-7,9(11),13-abietatrien-12-one
TL;DR: 2alpha,7,11-Trihydroxy-7,9(11),13-abietatrien-12-one (CAS 126006-08-4) is a chemical compound with molecular formula C21H30O5 and molecular weight 362.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,4aS,10R,10aS)-3,6,10-trihydroxy-5-methoxy-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
Also Known As: 2alpha,7,11-Trihydroxy-7,9(11),13-abietatrien-12-one, 2,6,12-Trihydroxy-11-methoxyabieta-8,11,13-trien-7-one, 2alpha,6alpha,12-Trihydroxy-11-methoxyabieta-8,11,13-trien-7-one, 3(4bH)-Phenanthrenone, 5,6,7,8,8a,9-hexahydro-6,9,10-trihydroxy-4-methoxy-4b,8,8-trimethyl-2-(1-methylethyl)-, (4bS-(4balpha,6beta,8abeta,9beta))-, (3S,4aS,10R,10aS)-3,6,10-trihydroxy-5-methoxy-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
| Molecular Formula | C21H30O5 |
|---|---|
| Molecular Weight | 362.21 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 362.20932 |
| Heavy Atoms | 26 |
| Complexity | 559.0 |
Chemical Identifiers
| CAS Number | 126006-08-4 |
|---|---|
| SMILES | CC(C)C1=C(C(=C2C(=C1)C(=O)[C@@H]([C@@H]3[C@@]2(C[C@H](CC3(C)C)O)C)O)OC)O |
| InChIKey | UXGSRNJVSQGMGG-PTMPUTRESA-N |
Product Overview
2alpha,7,11-Trihydroxy-7,9(11),13-abietatrien-12-one (CAS 126006-08-4), with molecular formula C21H30O5 and molecular weight 362.21 g/mol. IUPAC: (3S,4aS,10R,10aS)-3,6,10-trihydroxy-5-methoxy-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one.
Chemical Property Profile of 2alpha,7,11-Trihydroxy-7,9(11),13-abietatrien-12-one
Property Insights of 2alpha,7,11-Trihydroxy-7,9(11),13-abietatrien-12-one
The XLogP value of 3.5 indicates that 2alpha,7,11-Trihydroxy-7,9(11),13-abietatrien-12-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2alpha,7,11-Trihydroxy-7,9(11),13-abietatrien-12-one. Following Lipinski's Rule of Five, 2alpha,7,11-Trihydroxy-7,9(11),13-abietatrien-12-one has 3 hydrogen bond donor(s) and 5 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,7,11-Trihydroxy-7,9(11),13-abietatrien-12-one?
The CAS number of 2alpha,7,11-Trihydroxy-7,9(11),13-abietatrien-12-one is 126006-08-4.
What is the molecular formula of 2alpha,7,11-Trihydroxy-7,9(11),13-abietatrien-12-one?
The molecular formula of 2alpha,7,11-Trihydroxy-7,9(11),13-abietatrien-12-one is C21H30O5.
What is the molecular weight of 2alpha,7,11-Trihydroxy-7,9(11),13-abietatrien-12-one?
The molecular weight of 2alpha,7,11-Trihydroxy-7,9(11),13-abietatrien-12-one is 362.21 g/mol.
Where can I buy 2alpha,7,11-Trihydroxy-7,9(11),13-abietatrien-12-one?
You can request a quote for 2alpha,7,11-Trihydroxy-7,9(11),13-abietatrien-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,7,11-Trihydroxy-7,9(11),13-abietatrien-12-one?
Yes, KEHONG BIO provides custom synthesis services for 2alpha,7,11-Trihydroxy-7,9(11),13-abietatrien-12-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.