6-Oxabenz(3,4)-D-homoestra-1,3,5(10),8,14-pentaen-17-one
TL;DR: 6-Oxabenz(3,4)-D-homoestra-1,3,5(10),8,14-pentaen-17-one (CAS 135643-39-9) is a chemical compound with molecular formula C22H20O2 and molecular weight 316.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
20-methyl-12-oxapentacyclo[12.8.0.02,11.05,10.015,20]docosa-1(14),2(11),3,5,7,9,15-heptaen-19-one
Also Known As: 6-Obhepo, 6-Oxabenz(3,4)-D-homoestra-1,3,5(10),8,14-pentaen-17-one, 4H-Dinaphtho(1,2-b:2',1'-d)pyran-4-one, 2,3,4a,5,6,14-hexadro-4a-methyl-, (+-)-, 2,3,4a,5,6,14-Hexahydro-4a-methyl-4H-dinaphtho[1,2-b:2 ,1 -d]pyran-4-one, 4a-methyl-2,3,4a,5,6,14-hexahydro-4H-benzo[h]naphtho[1,2-c]chromen-4-one
| Molecular Formula | C22H20O2 |
|---|---|
| Molecular Weight | 316.15 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 316.14633 |
| Heavy Atoms | 24 |
| Complexity | 628.0 |
Chemical Identifiers
| CAS Number | 135643-39-9 |
|---|---|
| SMILES | CC12CCC3=C(C1=CCCC2=O)COC4=C3C=CC5=CC=CC=C54 |
| InChIKey | UMRBWLBNMWRHNE-UHFFFAOYSA-N |
Product Overview
6-Oxabenz(3,4)-D-homoestra-1,3,5(10),8,14-pentaen-17-one (CAS 135643-39-9), with molecular formula C22H20O2 and molecular weight 316.15 g/mol. IUPAC: 20-methyl-12-oxapentacyclo[12.8.0.02,11.05,10.015,20]docosa-1(14),2(11),3,5,7,9,15-heptaen-19-one.
Chemical Property Profile of 6-Oxabenz(3,4)-D-homoestra-1,3,5(10),8,14-pentaen-17-one
Property Insights of 6-Oxabenz(3,4)-D-homoestra-1,3,5(10),8,14-pentaen-17-one
The XLogP value of 3.4 indicates that 6-Oxabenz(3,4)-D-homoestra-1,3,5(10),8,14-pentaen-17-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 6-Oxabenz(3,4)-D-homoestra-1,3,5(10),8,14-pentaen-17-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Oxabenz(3,4)-D-homoestra-1,3,5(10),8,14-pentaen-17-one has 0 hydrogen bond donor(s) and 2 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 6-Oxabenz(3,4)-D-homoestra-1,3,5(10),8,14-pentaen-17-one?
The CAS number of 6-Oxabenz(3,4)-D-homoestra-1,3,5(10),8,14-pentaen-17-one is 135643-39-9.
What is the molecular formula of 6-Oxabenz(3,4)-D-homoestra-1,3,5(10),8,14-pentaen-17-one?
The molecular formula of 6-Oxabenz(3,4)-D-homoestra-1,3,5(10),8,14-pentaen-17-one is C22H20O2.
What is the molecular weight of 6-Oxabenz(3,4)-D-homoestra-1,3,5(10),8,14-pentaen-17-one?
The molecular weight of 6-Oxabenz(3,4)-D-homoestra-1,3,5(10),8,14-pentaen-17-one is 316.15 g/mol.
Where can I buy 6-Oxabenz(3,4)-D-homoestra-1,3,5(10),8,14-pentaen-17-one?
You can request a quote for 6-Oxabenz(3,4)-D-homoestra-1,3,5(10),8,14-pentaen-17-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Oxabenz(3,4)-D-homoestra-1,3,5(10),8,14-pentaen-17-one?
Yes, KEHONG BIO provides custom synthesis services for 6-Oxabenz(3,4)-D-homoestra-1,3,5(10),8,14-pentaen-17-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.