雌二醇苯甲酸酯
TL;DR: 雌二醇苯甲酸酯 (CAS 50-50-0) is a chemical compound with molecular formula C25H28O3 and molecular weight 376.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
雌二醇苯甲酸酯
(17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl) benzoate
Also Known As: estradiol benzoate, Benovocylin, Ovasterol-beta, Progynon-beta, Oestradiolbenzat
| Molecular Formula | C25H28O3 |
|---|---|
| Molecular Weight | 376.20 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 376.20386 |
| Heavy Atoms | 28 |
| Complexity | 582.0 |
Chemical Identifiers
| CAS Number | 50-50-0 |
|---|---|
| SMILES | CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5 |
| InChIKey | UYIFTLBWAOGQBI-UHFFFAOYSA-N |
Product Overview
雌二醇苯甲酸酯 (CAS 50-50-0), with molecular formula C25H28O3 and molecular weight 376.20 g/mol. IUPAC: (17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl) benzoate.
Chemical Property Profile of 雌二醇苯甲酸酯
Property Insights of 雌二醇苯甲酸酯
The XLogP value of 4.5 indicates that 苯甲酸雌二醇 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 雌二醇苯甲酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯甲酸雌二醇 has 1 hydrogen bond donor(s) and 3 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 苯甲酸雌二醇?
The CAS number of 苯甲酸雌二醇 is 50-50-0.
What is the molecular formula of 苯甲酸雌二醇?
The molecular formula of 苯甲酸雌二醇 is C25H28O3.
What is the molecular weight of 苯甲酸雌二醇?
The molecular weight of 苯甲酸雌二醇 is 376.20 g/mol.
Where can I buy 苯甲酸雌二醇?
You can request a quote for 苯甲酸雌二醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯甲酸雌二醇?
Yes, KEHONG BIO provides custom synthesis services for 苯甲酸雌二醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.