16,16-Dimethyl-D-homo-8-isoestrone methyl ester
TL;DR: 16,16-Dimethyl-D-homo-8-isoestrone methyl ester (CAS 108789-49-7) is a chemical compound with molecular formula C22H30O2 and molecular weight 326.22458 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4aS,4bS,10bS,12aS)-8-methoxy-2,2,12a-trimethyl-4,4a,4b,5,6,10b,11,12-octahydro-3H-chrysen-1-one
Also Known As: Dmhiem, 16,16-Dimethyl-D-homo-8-isoestrone methyl ester, Benzene,1-[(phenylsulfinyl)methyl]-4-(trifluoromethyl), (4aS,4bS,10bS,12aS)-8-methoxy-2,2,12a-trimethyl-4,4a,4b,5,6,10b,11,12-octahydro-3H-chrysen-1-one, 8-Methoxy-2,2,12a-trimethyl-3,4,4a,4b,5,6,10b,11,12,12a-decahydrochrysen-1(2H)-one
Technical Specifications
| Molecular Formula | C22H30O2 |
| Molecular Weight | 326.22458 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 326.22458 Da |
| Heavy Atoms | 24 |
| Complexity | 510.0 |
| SMILES | C[C@]12CC[C@H]3[C@@H]([C@@H]1CCC(C2=O)(C)C)CCC4=C3C=CC(=C4)OC |
| InChIKey | BRSVRATYZSQLNA-GHDARCQNSA-N |
Chemical Property Profile of 16,16-Dimethyl-D-homo-8-isoestrone methyl ester
Property Insights of 16,16-Dimethyl-D-homo-8-isoestrone methyl ester
The XLogP value of 4.9 indicates that 16,16-Dimethyl-D-homo-8-isoestrone methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 16,16-Dimethyl-D-homo-8-isoestrone methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 16,16-Dimethyl-D-homo-8-isoestrone methyl ester 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
What is the CAS number of 16,16-Dimethyl-D-homo-8-isoestrone methyl ester?
The CAS number of 16,16-Dimethyl-D-homo-8-isoestrone methyl ester is 108789-49-7.
What is the molecular formula of 16,16-Dimethyl-D-homo-8-isoestrone methyl ester?
The molecular formula of 16,16-Dimethyl-D-homo-8-isoestrone methyl ester is C22H30O2.
What is the molecular weight of 16,16-Dimethyl-D-homo-8-isoestrone methyl ester?
The molecular weight of 16,16-Dimethyl-D-homo-8-isoestrone methyl ester is 326.22458 g/mol.
Where can I buy 16,16-Dimethyl-D-homo-8-isoestrone methyl ester?
You can request a quote for 16,16-Dimethyl-D-homo-8-isoestrone methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 16,16-Dimethyl-D-homo-8-isoestrone methyl ester?
Yes, CoreyChem provides custom synthesis services for 16,16-Dimethyl-D-homo-8-isoestrone methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.