Estradiol diundecanoate
TL;DR: Estradiol diundecanoate (CAS 1263-57-6) is a chemical compound with molecular formula C40H64O4 and molecular weight 608.48 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8R,9S,13S,14S,17S)-13-methyl-3-undecanoyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] undecanoate
Also Known As: Estradiol diundecanoate, Estradiol diundecylate, Tetrondrine dihydrochloride, 17beta-Estradiol 3,17-diundecanoate, Estra-1(10),2,4-triene-3,17-diyl diundecanoate
| Molecular Formula | C40H64O4 |
|---|---|
| Molecular Weight | 608.48 g/mol |
| LogP | 12.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 22 |
| Exact Mass | 608.48047 |
| Heavy Atoms | 44 |
| Complexity | 839.0 |
Chemical Identifiers
| CAS Number | 1263-57-6 |
|---|---|
| SMILES | CCCCCCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3C=CC(=C4)OC(=O)CCCCCCCCCC)C |
| InChIKey | PWQIMJUJIMPDSQ-OBRFQGJBSA-N |
Product Overview
Estradiol diundecanoate (CAS 1263-57-6), with molecular formula C40H64O4 and molecular weight 608.48 g/mol. IUPAC: [(8R,9S,13S,14S,17S)-13-methyl-3-undecanoyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] undecanoate.
Chemical Property Profile of Estradiol diundecanoate
Property Insights of Estradiol diundecanoate
The XLogP value of 12.6 indicates that Estradiol diundecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Estradiol diundecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Estradiol diundecanoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Estradiol diundecanoate?
The CAS number of Estradiol diundecanoate is 1263-57-6.
What is the molecular formula of Estradiol diundecanoate?
The molecular formula of Estradiol diundecanoate is C40H64O4.
What is the molecular weight of Estradiol diundecanoate?
The molecular weight of Estradiol diundecanoate is 608.48 g/mol.
Where can I buy Estradiol diundecanoate?
You can request a quote for Estradiol diundecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Estradiol diundecanoate?
Yes, KEHONG BIO provides custom synthesis services for Estradiol diundecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.