Ketononestrol aziridine
TL;DR: Ketononestrol aziridine (CAS 110576-20-0) is a chemical compound with molecular formula C23H29NO3 and molecular weight 367.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6S)-1-[(2R)-aziridin-2-yl]-6,7-bis(4-hydroxyphenyl)nonan-5-one
Also Known As: Ketononestrol aziridine, 1-(N-Aziridinyl)-6,7-bis(4-hydroxyphenyl)-5-nonanone, (6S)-1-[(2R)-aziridin-2-yl]-6,7-bis(4-hydroxyphenyl)nonan-5-one, 1-(aziridin-2-yl)-6,7-bis(4-hydroxyphenyl)nonan-5-one, 5-Nonanone, 1-(2-aziridinyl)-6,7-bis(4-hydroxyphenyl)-, (R*,S*)-
| Molecular Formula | C23H29NO3 |
|---|---|
| Molecular Weight | 367.21 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 79.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 367.21475 |
| Heavy Atoms | 27 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 110576-20-0 |
|---|---|
| SMILES | CCC(C1=CC=C(C=C1)O)[C@@H](C2=CC=C(C=C2)O)C(=O)CCCC[C@@H]3CN3 |
| InChIKey | TZMSUYNFLCWOOM-DDVMIGOSSA-N |
Product Overview
Ketononestrol aziridine (CAS 110576-20-0), with molecular formula C23H29NO3 and molecular weight 367.21 g/mol. IUPAC: (6S)-1-[(2R)-aziridin-2-yl]-6,7-bis(4-hydroxyphenyl)nonan-5-one.
Chemical Property Profile of Ketononestrol aziridine
Property Insights of Ketononestrol aziridine
The XLogP value of 4.1 indicates that Ketononestrol aziridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Ketononestrol aziridine. Following Lipinski's Rule of Five, Ketononestrol aziridine has 3 hydrogen bond donor(s) and 4 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 Ketononestrol aziridine?
The CAS number of Ketononestrol aziridine is 110576-20-0.
What is the molecular formula of Ketononestrol aziridine?
The molecular formula of Ketononestrol aziridine is C23H29NO3.
What is the molecular weight of Ketononestrol aziridine?
The molecular weight of Ketononestrol aziridine is 367.21 g/mol.
Where can I buy Ketononestrol aziridine?
You can request a quote for Ketononestrol aziridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ketononestrol aziridine?
Yes, KEHONG BIO provides custom synthesis services for Ketononestrol aziridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.