Estradiol-17-arachidonate
TL;DR: Estradiol-17-arachidonate (CAS 82204-96-4) is a chemical compound with molecular formula C38H54O3 and molecular weight 558.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate
Also Known As: Estradiol-17-arachidonate, (3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate
| Molecular Formula | C38H54O3 |
|---|---|
| Molecular Weight | 558.41 g/mol |
| LogP | 10.3058 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 15 |
| Exact Mass | 558.4073 |
| Heavy Atoms | 41 |
| Complexity | 1078.9928 |
Chemical Identifiers
| CAS Number | 82204-96-4 |
|---|---|
| SMILES | CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)OC1CCC2C1(CCC3C2CCC4=C3C=CC(=C4)O)C |
Product Overview
Estradiol-17-arachidonate (CAS 82204-96-4), with molecular formula C38H54O3 and molecular weight 558.41 g/mol. IUPAC: (3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate.
Chemical Property Profile of Estradiol-17-arachidonate
Property Insights of Estradiol-17-arachidonate
The XLogP value of 10.3058 indicates that Estradiol-17-arachidonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, Estradiol-17-arachidonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Estradiol-17-arachidonate 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-17-arachidonate?
The CAS number of Estradiol-17-arachidonate is 82204-96-4.
What is the molecular formula of Estradiol-17-arachidonate?
The molecular formula of Estradiol-17-arachidonate is C38H54O3.
What is the molecular weight of Estradiol-17-arachidonate?
The molecular weight of Estradiol-17-arachidonate is 558.41 g/mol.
Where can I buy Estradiol-17-arachidonate?
You can request a quote for Estradiol-17-arachidonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Estradiol-17-arachidonate?
Yes, KEHONG BIO provides custom synthesis services for Estradiol-17-arachidonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.