炔诺酮
TL;DR: 炔诺酮 (CAS 68-22-4) is a chemical compound with molecular formula C20H26O2 and molecular weight 298.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
炔诺酮
17-ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
Also Known As: norethindrone, Norethisterone, Noresthisterone, Norethisteron, Norethynodrone
| Molecular Formula | C20H26O2 |
|---|---|
| Molecular Weight | 298.19 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 298.19327 |
| Heavy Atoms | 22 |
| Complexity | 594.0 |
Chemical Identifiers
| CAS Number | 68-22-4 |
|---|---|
| SMILES | CC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34 |
| InChIKey | VIKNJXKGJWUCNN-UHFFFAOYSA-N |
Product Overview
炔诺酮 (CAS 68-22-4), with molecular formula C20H26O2 and molecular weight 298.19 g/mol. IUPAC: 17-ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 炔诺酮
Property Insights of 炔诺酮
The XLogP value of 3.0 indicates that 炔諾酮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 炔诺酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 炔諾酮 has 1 hydrogen bond donor(s) and 2 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 炔諾酮?
The CAS number of 炔諾酮 is 68-22-4.
What is the molecular formula of 炔諾酮?
The molecular formula of 炔諾酮 is C20H26O2.
What is the molecular weight of 炔諾酮?
The molecular weight of 炔諾酮 is 298.19 g/mol.
Where can I buy 炔諾酮?
You can request a quote for 炔諾酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 炔諾酮?
Yes, KEHONG BIO provides custom synthesis services for 炔諾酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.