Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 3-benzoate 17-butanoate
TL;DR: Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 3-benzoate 17-butanoate (CAS 63042-18-2) is a chemical compound with molecular formula C29H34O4 and molecular weight 446.2457 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(8R,9S,13S,14S,17S)-17-butanoyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate
Also Known As: Estradiol-3-benzoate-17-butyrate, Estradiol Benzoate Butyrate, USAF EL-73, Estradiol-3-benzoate-17-n-butyrate, KST-1A7048
Technical Specifications
| Molecular Formula | C29H34O4 |
| Molecular Weight | 446.2457 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 446.2457 Da |
| Heavy Atoms | 33 |
| Complexity | 712.0 |
| SMILES | CCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5)C |
| InChIKey | MKYFGNOOEKZNPW-ZRJUGLEFSA-N |
Chemical Property Profile of Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 3-benzoate 17-butanoate
Property Insights of Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 3-benzoate 17-butanoate
The XLogP value of 5.9 indicates that Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 3-benzoate 17-butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 3-benzoate 17-butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 3-benzoate 17-butanoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 3-benzoate 17-butanoate?
The CAS number of Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 3-benzoate 17-butanoate is 63042-18-2.
What is the molecular formula of Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 3-benzoate 17-butanoate?
The molecular formula of Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 3-benzoate 17-butanoate is C29H34O4.
What is the molecular weight of Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 3-benzoate 17-butanoate?
The molecular weight of Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 3-benzoate 17-butanoate is 446.2457 g/mol.
Where can I buy Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 3-benzoate 17-butanoate?
You can request a quote for Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 3-benzoate 17-butanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 3-benzoate 17-butanoate?
Yes, CoreyChem provides custom synthesis services for Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 3-benzoate 17-butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.