癸酸雌二醇
TL;DR: 癸酸雌二醇 (CAS 61748-93-4) is a chemical compound with molecular formula C28H42O3 and molecular weight 426.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
癸酸雌二醇
[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] decanoate
Also Known As: Estradiol decanoate, Estradiol-17beta-decanoate, E2D-17beta-Estradiol, 17beta-Oestradiol decanoate, 17beta-Estradiol 17-decanoate
| Molecular Formula | C28H42O3 |
|---|---|
| Molecular Weight | 426.31 g/mol |
| LogP | 8.7 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 426.3134 |
| Heavy Atoms | 31 |
| Complexity | 589.0 |
Chemical Identifiers
| CAS Number | 61748-93-4 |
|---|---|
| SMILES | CCCCCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3C=CC(=C4)O)C |
| InChIKey | YYFQNZXJGOTFRX-VMBLQBCYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
癸酸雌二醇 (CAS 61748-93-4), with molecular formula C28H42O3 and molecular weight 426.31 g/mol. IUPAC: [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] decanoate.
Chemical Property Profile of 癸酸雌二醇
Property Insights of 癸酸雌二醇
The XLogP value of 8.7 indicates that 癸酸雌二醇 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 癸酸雌二醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 癸酸雌二醇 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 癸酸雌二醇?
The CAS number of 癸酸雌二醇 is 61748-93-4.
What is the molecular formula of 癸酸雌二醇?
The molecular formula of 癸酸雌二醇 is C28H42O3.
What is the molecular weight of 癸酸雌二醇?
The molecular weight of 癸酸雌二醇 is 426.31 g/mol.
Where can I buy 癸酸雌二醇?
You can request a quote for 癸酸雌二醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 癸酸雌二醇?
Yes, KEHONG BIO provides custom synthesis services for 癸酸雌二醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.