Dads-E
TL;DR: Dads-E (CAS 108736-70-5) is a chemical compound with molecular formula C30H48Cl2N2O2S2 and molecular weight 602.2534 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(8R,9S,13S,14S)-3-methoxy-13-methyl-2-[(3,3,10,10-tetramethyl-1,2,5,8-dithiadiazecan-5-yl)methyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one;dihydrochloride
Also Known As: Dads-E, 5-(2-Methylene estrone 3-methyl ether)-3,3,10,10-tetramethyl-1,2-dithia-5,8-diazabicyclodecane, (8R,9S,13S,14S)-3-methoxy-13-methyl-2-[(3,3,10,10-tetramethyl-1,2,5,8-dithiadiazecan-5-yl)methyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one;dihydrochloride, 2-((Hexahydro-3,3,10,10-tetramethyl-1,2,5,8-dithiadiazecin-5(6H)-yl)methyl)-3-methoxyestra-1,3,5(10)-trien-17-one dihydrochloride, (8R,9S,13S,14S)-3-methoxy-13-methyl-2-[(3,3,10,10-tetramethyl-1,2,5,8-dithiadiazecan-5-yl)methyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one dihydrochloride
Technical Specifications
| Molecular Formula | C30H48Cl2N2O2S2 |
| Molecular Weight | 602.2534 g/mol |
| XLogP | 7.3078 |
| Topological Polar Surface Area (TPSA) | 92.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 602.2534 Da |
| Heavy Atoms | 38 |
| Complexity | 804.0 |
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=C(C=C34)CN5CCNCC(SSC(C5)(C)C)(C)C)OC.Cl.Cl |
| InChIKey | JEJDYDHMKHZVRL-HYPZIQOMSA-N |
Chemical Property Profile of Dads-E
Property Insights of Dads-E
The XLogP value of 7.3078 indicates that Dads-E is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Dads-E. Following Lipinski's Rule of Five, Dads-E has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Dads-E?
The CAS number of Dads-E is 108736-70-5.
What is the molecular formula of Dads-E?
The molecular formula of Dads-E is C30H48Cl2N2O2S2.
What is the molecular weight of Dads-E?
The molecular weight of Dads-E is 602.2534 g/mol.
Where can I buy Dads-E?
You can request a quote for Dads-E directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dads-E?
Yes, CoreyChem provides custom synthesis services for Dads-E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.