Benz(3,4)-6-oxaestra-1,3,5(10),8-tetraen-17-ol
TL;DR: Benz(3,4)-6-oxaestra-1,3,5(10),8-tetraen-17-ol (CAS 131077-42-4) is a chemical compound with molecular formula C21H22O2 and molecular weight 306.162 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5S,9S)-5-methyl-12-oxapentacyclo[11.8.0.02,10.05,9.014,19]henicosa-1(13),2(10),14,16,18,20-hexaen-6-ol
Also Known As: BOTBO, Benz(3,4)-6-oxaestra-1,3,5(10),8-tetraen-17-ol, benz -6-oxaestra-1,3,5 ,8-tetraen-17-ol, Benz(3,4)-6-oxaestra-1,3,5(10),8-tetraen-17beta-ol, benz(3,4)-6-oxaestra-1,3,5(10),8-tetraen-17 beta-ol
Technical Specifications
| Molecular Formula | C21H22O2 |
| Molecular Weight | 306.162 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 306.162 Da |
| Heavy Atoms | 23 |
| Complexity | 524.0 |
| SMILES | C[C@]12CCC3=C([C@@H]1CCC2O)COC4=C3C=CC5=CC=CC=C54 |
| InChIKey | UCCZYWCDXDHOKZ-GCSLORGYSA-N |
Chemical Property Profile of Benz(3,4)-6-oxaestra-1,3,5(10),8-tetraen-17-ol
Property Insights of Benz(3,4)-6-oxaestra-1,3,5(10),8-tetraen-17-ol
The XLogP value of 3.6 indicates that Benz(3,4)-6-oxaestra-1,3,5(10),8-tetraen-17-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Benz(3,4)-6-oxaestra-1,3,5(10),8-tetraen-17-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benz(3,4)-6-oxaestra-1,3,5(10),8-tetraen-17-ol has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benz(3,4)-6-oxaestra-1,3,5(10),8-tetraen-17-ol?
The CAS number of Benz(3,4)-6-oxaestra-1,3,5(10),8-tetraen-17-ol is 131077-42-4.
What is the molecular formula of Benz(3,4)-6-oxaestra-1,3,5(10),8-tetraen-17-ol?
The molecular formula of Benz(3,4)-6-oxaestra-1,3,5(10),8-tetraen-17-ol is C21H22O2.
What is the molecular weight of Benz(3,4)-6-oxaestra-1,3,5(10),8-tetraen-17-ol?
The molecular weight of Benz(3,4)-6-oxaestra-1,3,5(10),8-tetraen-17-ol is 306.162 g/mol.
Where can I buy Benz(3,4)-6-oxaestra-1,3,5(10),8-tetraen-17-ol?
You can request a quote for Benz(3,4)-6-oxaestra-1,3,5(10),8-tetraen-17-ol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benz(3,4)-6-oxaestra-1,3,5(10),8-tetraen-17-ol?
Yes, CoreyChem provides custom synthesis services for Benz(3,4)-6-oxaestra-1,3,5(10),8-tetraen-17-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.