17-Fluorescein estrone
TL;DR: 17-Fluorescein estrone (CAS 76841-57-1) is a chemical compound with molecular formula C39H35N3O6S and molecular weight 673.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)-3-[(E)-[(8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene]amino]thiourea
Also Known As: 17-Fluorescein estrone, Estrone-17-fluorescein, 1-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)-3-[(E)-[(8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene]amino]thiourea, Estra-1,3,5(10)-trien-17-one, 3-hydroxy-, (((3',6'-dihydroxy-3-oxospiro(isobenzofuran-1(3H),9'-(9H)xanthen)-5-yl)amino)thioxomethyl)hydrazone, RefChem:79181
| Molecular Formula | C39H35N3O6S |
|---|---|
| Molecular Weight | 673.22 g/mol |
| LogP | 7.5701 |
| Topological Polar Surface Area | 132.64 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 673.2247 |
| Heavy Atoms | 49 |
| Complexity | 2078.3718 |
Chemical Identifiers
| CAS Number | 76841-57-1 |
|---|---|
| SMILES | C[C@]1\2CC[C@H]3[C@H]([C@@H]1CC/C2=N\NC(=S)NC4=CC5=C(C=C4)C6(C7=C(C=C(C=C7)O)OC8=C6C=CC(=C8)O)OC5=O)CCC9=C3C=CC(=C9)O |
Product Overview
17-Fluorescein estrone (CAS 76841-57-1), with molecular formula C39H35N3O6S and molecular weight 673.22 g/mol. IUPAC: 1-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)-3-[(E)-[(8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene]amino]thiourea.
Chemical Property Profile of 17-Fluorescein estrone
Property Insights of 17-Fluorescein estrone
The XLogP value of 7.5701 indicates that 17-Fluorescein estrone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 17-Fluorescein estrone. Following Lipinski's Rule of Five, 17-Fluorescein estrone has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 17-Fluorescein estrone?
The CAS number of 17-Fluorescein estrone is 76841-57-1.
What is the molecular formula of 17-Fluorescein estrone?
The molecular formula of 17-Fluorescein estrone is C39H35N3O6S.
What is the molecular weight of 17-Fluorescein estrone?
The molecular weight of 17-Fluorescein estrone is 673.22 g/mol.
Where can I buy 17-Fluorescein estrone?
You can request a quote for 17-Fluorescein estrone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17-Fluorescein estrone?
Yes, KEHONG BIO provides custom synthesis services for 17-Fluorescein estrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.