estriol benzoate diacetate
TL;DR: estriol benzoate diacetate (CAS 2508-47-6) is a chemical compound with molecular formula C29H32O6 and molecular weight 476.21988 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(16R,17R)-16,17-diacetyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate
Also Known As: estriol benzoate diacetate, Tox21_113698, Estriol 3-benzoate 16,17-diacetate, CAS-2508-47-6, (16alpha, 17beta)-Estra-1,3,5(10)-triene-3,16,17-triol 16,17-diacetate 3-benzoate
Technical Specifications
| Molecular Formula | C29H32O6 |
| Molecular Weight | 476.21988 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 476.21988 Da |
| Heavy Atoms | 35 |
| Complexity | 818.0 |
| SMILES | CC(=O)O[C@@H]1CC2C3CCC4=C(C3CCC2([C@H]1OC(=O)C)C)C=CC(=C4)OC(=O)C5=CC=CC=C5 |
| InChIKey | VQHGRIUWSVCJPX-ULPOLMMYSA-N |
Chemical Property Profile of estriol benzoate diacetate
Property Insights of estriol benzoate diacetate
The XLogP value of 5.4 indicates that estriol benzoate diacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for estriol benzoate diacetate. Following Lipinski's Rule of Five, estriol benzoate diacetate has 0 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 estriol benzoate diacetate?
The CAS number of estriol benzoate diacetate is 2508-47-6.
What is the molecular formula of estriol benzoate diacetate?
The molecular formula of estriol benzoate diacetate is C29H32O6.
What is the molecular weight of estriol benzoate diacetate?
The molecular weight of estriol benzoate diacetate is 476.21988 g/mol.
Where can I buy estriol benzoate diacetate?
You can request a quote for estriol benzoate diacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for estriol benzoate diacetate?
Yes, CoreyChem provides custom synthesis services for estriol benzoate diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.