6alpha(beta),12alpha(beta)-Rotenolone
TL;DR: 6alpha(beta),12alpha(beta)-Rotenolone (CAS 33987-33-6) is a chemical compound with molecular formula C23H22O7 and molecular weight 410.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,6R,13S)-13-hydroxy-16,17-dimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one
Also Known As: Rotenolone, 12-Hydroxyrotenone, KST-1A4436, KST-1A4437, 6alpha(beta),12alpha(beta)-Rotenolone
| Molecular Formula | C23H22O7 |
|---|---|
| Molecular Weight | 410.14 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 83.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 410.13657 |
| Heavy Atoms | 30 |
| Complexity | 710.0 |
Chemical Identifiers
| CAS Number | 33987-33-6 |
|---|---|
| SMILES | CC(=C)[C@H]1CC2=C(O1)C=CC3=C2O[C@H]4COC5=CC(=C(C=C5[C@]4(C3=O)O)OC)OC |
| InChIKey | JFVKWCYZKMUTLH-CGYQNGNCSA-N |
Product Overview
6alpha(beta),12alpha(beta)-Rotenolone (CAS 33987-33-6), with molecular formula C23H22O7 and molecular weight 410.14 g/mol. IUPAC: (1S,6R,13S)-13-hydroxy-16,17-dimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one.
Chemical Property Profile of 6alpha(beta),12alpha(beta)-Rotenolone
Property Insights of 6alpha(beta),12alpha(beta)-Rotenolone
The XLogP value of 3.3 indicates that 6alpha(beta),12alpha(beta)-Rotenolone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 6alpha(beta),12alpha(beta)-Rotenolone. Following Lipinski's Rule of Five, 6alpha(beta),12alpha(beta)-Rotenolone has 1 hydrogen bond donor(s) and 7 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 6alpha(beta),12alpha(beta)-Rotenolone?
The CAS number of 6alpha(beta),12alpha(beta)-Rotenolone is 33987-33-6.
What is the molecular formula of 6alpha(beta),12alpha(beta)-Rotenolone?
The molecular formula of 6alpha(beta),12alpha(beta)-Rotenolone is C23H22O7.
What is the molecular weight of 6alpha(beta),12alpha(beta)-Rotenolone?
The molecular weight of 6alpha(beta),12alpha(beta)-Rotenolone is 410.14 g/mol.
Where can I buy 6alpha(beta),12alpha(beta)-Rotenolone?
You can request a quote for 6alpha(beta),12alpha(beta)-Rotenolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6alpha(beta),12alpha(beta)-Rotenolone?
Yes, KEHONG BIO provides custom synthesis services for 6alpha(beta),12alpha(beta)-Rotenolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.