Estradiol monopalmitate
TL;DR: Estradiol monopalmitate (CAS 5776-45-4) is a chemical compound with molecular formula C34H54O3 and molecular weight 510.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] hexadecanoate
Also Known As: Estradiol monopalmitate, Estradiol 17-palmitate, estradiol palmitate, Estradiol, monopalmitate, Estradiol, 17-palmitate
| Molecular Formula | C34H54O3 |
|---|---|
| Molecular Weight | 510.41 g/mol |
| LogP | 11.9 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 16 |
| Exact Mass | 510.4073 |
| Heavy Atoms | 37 |
| Complexity | 676.0 |
Chemical Identifiers
| CAS Number | 5776-45-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3C=CC(=C4)O)C |
| InChIKey | XQKLZLWOOGGXMV-KWXXMMNJSA-N |
Product Overview
Estradiol monopalmitate (CAS 5776-45-4), with molecular formula C34H54O3 and molecular weight 510.41 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] hexadecanoate.
Chemical Property Profile of Estradiol monopalmitate
Property Insights of Estradiol monopalmitate
The XLogP value of 11.9 indicates that Estradiol monopalmitate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Estradiol monopalmitate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Estradiol monopalmitate 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 Estradiol monopalmitate?
The CAS number of Estradiol monopalmitate is 5776-45-4.
What is the molecular formula of Estradiol monopalmitate?
The molecular formula of Estradiol monopalmitate is C34H54O3.
What is the molecular weight of Estradiol monopalmitate?
The molecular weight of Estradiol monopalmitate is 510.41 g/mol.
Where can I buy Estradiol monopalmitate?
You can request a quote for Estradiol monopalmitate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Estradiol monopalmitate?
Yes, KEHONG BIO provides custom synthesis services for Estradiol monopalmitate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.