Estrone, p-nitrobenzoate
TL;DR: Estrone, p-nitrobenzoate (CAS 41623-27-2) is a chemical compound with molecular formula C25H25NO5 and molecular weight 419.17 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) 4-nitrobenzoate
Also Known As: Estrone, p-nitrobenzoate, Estrone p-nitrobenzoate, 3-Hydroxyestra-1,3,5(10)-trien-17-one p-nitrobenzoate, 17-Oxoestra-1(10),2,4-trien-3-yl 4-nitrobenzoate, Estra-1,3,5(10)-trien-17-one, 3-((4-nitrobenzoyl)oxy)-
| Molecular Formula | C25H25NO5 |
|---|---|
| Molecular Weight | 419.17 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 89.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 419.17328 |
| Heavy Atoms | 31 |
| Complexity | 739.0 |
Chemical Identifiers
| CAS Number | 41623-27-2 |
|---|---|
| SMILES | CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OC(=O)C5=CC=C(C=C5)[N+](=O)[O-] |
| InChIKey | HSVAEISJKGHUGC-UHFFFAOYSA-N |
Product Overview
Estrone, p-nitrobenzoate (CAS 41623-27-2), with molecular formula C25H25NO5 and molecular weight 419.17 g/mol. IUPAC: (13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) 4-nitrobenzoate.
Chemical Property Profile of Estrone, p-nitrobenzoate
Property Insights of Estrone, p-nitrobenzoate
The XLogP value of 4.7 indicates that Estrone, p-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Estrone, p-nitrobenzoate. Following Lipinski's Rule of Five, Estrone, p-nitrobenzoate has 0 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 Estrone, p-nitrobenzoate?
The CAS number of Estrone, p-nitrobenzoate is 41623-27-2.
What is the molecular formula of Estrone, p-nitrobenzoate?
The molecular formula of Estrone, p-nitrobenzoate is C25H25NO5.
What is the molecular weight of Estrone, p-nitrobenzoate?
The molecular weight of Estrone, p-nitrobenzoate is 419.17 g/mol.
Where can I buy Estrone, p-nitrobenzoate?
You can request a quote for Estrone, p-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Estrone, p-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Estrone, p-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.