雌二醇二乙酸酯
TL;DR: 雌二醇二乙酸酯 (CAS 3434-88-6) is a chemical compound with molecular formula C22H28O4 and molecular weight 356.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
雌二醇二乙酸酯
(3-acetyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) acetate
Also Known As: estradiol diacetate, Estradiol, diacetate, beta-Estradiol diacetate, Estradiol-3,17-diacetate, 17
| Molecular Formula | C22H28O4 |
|---|---|
| Molecular Weight | 356.20 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.19876 |
| Heavy Atoms | 26 |
| Complexity | 572.0 |
Chemical Identifiers
| CAS Number | 3434-88-6 |
|---|---|
| SMILES | CC(=O)OC1CCC2C1(CCC3C2CCC4=C3C=CC(=C4)OC(=O)C)C |
| InChIKey | VQHQLBARMFAKSV-UHFFFAOYSA-N |
Product Overview
雌二醇二乙酸酯 (CAS 3434-88-6), with molecular formula C22H28O4 and molecular weight 356.20 g/mol. IUPAC: (3-acetyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) acetate.
Chemical Property Profile of 雌二醇二乙酸酯
Property Insights of 雌二醇二乙酸酯
The XLogP value of 3.4 indicates that 二乙酸雌二醇 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 雌二醇二乙酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二乙酸雌二醇 has 0 hydrogen bond donor(s) and 4 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 二乙酸雌二醇?
The CAS number of 二乙酸雌二醇 is 3434-88-6.
What is the molecular formula of 二乙酸雌二醇?
The molecular formula of 二乙酸雌二醇 is C22H28O4.
What is the molecular weight of 二乙酸雌二醇?
The molecular weight of 二乙酸雌二醇 is 356.20 g/mol.
Where can I buy 二乙酸雌二醇?
You can request a quote for 二乙酸雌二醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二乙酸雌二醇?
Yes, KEHONG BIO provides custom synthesis services for 二乙酸雌二醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.