Biotinylestrone
TL;DR: Biotinylestrone (CAS 81352-82-1) is a chemical compound with molecular formula C28H36N2O4S and molecular weight 496.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) 5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoate
Also Known As: Biotinylestrone, Biotinyloestrone, Biotin-estrone conjugate, 17-oxoestra-1,3,5(10)-trien-3-yl 5-(2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentanoate, Estra-1,3,5(10)-trien-17-one, 3-((5-(hexahydro-2-oxo-1H-thieno(3,4-d)imidazol-4-yl)-1-oxopentyl)oxy)-, (3(3aS,4S,6aR))-
| Molecular Formula | C28H36N2O4S |
|---|---|
| Molecular Weight | 496.24 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 496.2396 |
| Heavy Atoms | 35 |
| Complexity | 866.0 |
Chemical Identifiers
| CAS Number | 81352-82-1 |
|---|---|
| SMILES | CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OC(=O)CCCCC5C6C(CS5)NC(=O)N6 |
| InChIKey | WRCYWDZGUPLALM-UHFFFAOYSA-N |
Product Overview
Biotinylestrone (CAS 81352-82-1), with molecular formula C28H36N2O4S and molecular weight 496.24 g/mol. IUPAC: (13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) 5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoate.
Chemical Property Profile of Biotinylestrone
Property Insights of Biotinylestrone
The XLogP value of 3.8 indicates that Biotinylestrone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Biotinylestrone. Following Lipinski's Rule of Five, Biotinylestrone has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Biotinylestrone?
The CAS number of Biotinylestrone is 81352-82-1.
What is the molecular formula of Biotinylestrone?
The molecular formula of Biotinylestrone is C28H36N2O4S.
What is the molecular weight of Biotinylestrone?
The molecular weight of Biotinylestrone is 496.24 g/mol.
Where can I buy Biotinylestrone?
You can request a quote for Biotinylestrone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Biotinylestrone?
Yes, KEHONG BIO provides custom synthesis services for Biotinylestrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.