Estradiol-3-dansylate
TL;DR: Estradiol-3-dansylate (CAS 30808-48-1) is a chemical compound with molecular formula C30H35NO4S and molecular weight 505.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] 5-(dimethylamino)naphthalene-1-sulfonate
Also Known As: 3-Dansylestradiol, Estradiol-3-dansylate, KST-1A3781, (17, A)-17-hydroxyestra-1,3,5(10)-trien-3-yl 5-(dimethylamino)naphthalene-1-sulfonate
| Molecular Formula | C30H35NO4S |
|---|---|
| Molecular Weight | 505.23 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 75.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 505.22867 |
| Heavy Atoms | 36 |
| Complexity | 901.0 |
Chemical Identifiers
| CAS Number | 30808-48-1 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)OS(=O)(=O)C5=CC=CC6=C5C=CC=C6N(C)C |
| InChIKey | HPCHMBPQUJEXLJ-XDLBVFQSSA-N |
Product Overview
Estradiol-3-dansylate (CAS 30808-48-1), with molecular formula C30H35NO4S and molecular weight 505.23 g/mol. IUPAC: [(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] 5-(dimethylamino)naphthalene-1-sulfonate.
Chemical Property Profile of Estradiol-3-dansylate
Property Insights of Estradiol-3-dansylate
The XLogP value of 5.5 indicates that Estradiol-3-dansylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Estradiol-3-dansylate. Following Lipinski's Rule of Five, Estradiol-3-dansylate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Estradiol-3-dansylate?
The CAS number of Estradiol-3-dansylate is 30808-48-1.
What is the molecular formula of Estradiol-3-dansylate?
The molecular formula of Estradiol-3-dansylate is C30H35NO4S.
What is the molecular weight of Estradiol-3-dansylate?
The molecular weight of Estradiol-3-dansylate is 505.23 g/mol.
Where can I buy Estradiol-3-dansylate?
You can request a quote for Estradiol-3-dansylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Estradiol-3-dansylate?
Yes, KEHONG BIO provides custom synthesis services for Estradiol-3-dansylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.