![(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) 2-(3-ethenylimidazol-1-ium-1-yl)acetate structure](/static/products/825/82571-86-6.png)
(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) 2-(3-ethenylimidazol-1-ium-1-yl)acetate
TL;DR: (10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) 2-(3-ethenylimidazol-1-ium-1-yl)acetate (CAS 82571-86-6) is a chemical compound with molecular formula C26H35N2O3+ and molecular weight 423.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) 2-(3-ethenylimidazol-1-ium-1-yl)acetate
Also Known As: (10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) 2-(3-ethenylimidazol-1-ium-1-yl)acetate, 17-{[(1-Ethenyl-1H-imidazol-3-ium-3-yl)acetyl]oxy}-3-oxoandrost-4-ene
| Molecular Formula | C26H35N2O3+ |
|---|---|
| Molecular Weight | 423.26 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 52.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 423.26477 |
| Heavy Atoms | 31 |
| Complexity | 806.0 |
Chemical Identifiers
| CAS Number | 82571-86-6 |
|---|---|
| SMILES | CC12CCC3C(C1CCC2OC(=O)C[N+]4=CN(C=C4)C=C)CCC5=CC(=O)CCC35C |
| InChIKey | PZDGJRHZHQEYSV-UHFFFAOYSA-N |
Product Overview
(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) 2-(3-ethenylimidazol-1-ium-1-yl)acetate (CAS 82571-86-6), with molecular formula C26H35N2O3+ and molecular weight 423.26 g/mol. IUPAC: (10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) 2-(3-ethenylimidazol-1-ium-1-yl)acetate.
Chemical Property Profile of (10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) 2-(3-ethenylimidazol-1-ium-1-yl)acetate
Property Insights of (10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) 2-(3-ethenylimidazol-1-ium-1-yl)acetate
The XLogP value of 4.5 indicates that (10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) 2-(3-ethenylimidazol-1-ium-1-yl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.2 Ų, (10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) 2-(3-ethenylimidazol-1-ium-1-yl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) 2-(3-ethenylimidazol-1-ium-1-yl)acetate has 0 hydrogen bond donor(s) and 3 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 (10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) 2-(3-ethenylimidazol-1-ium-1-yl)acetate?
The CAS number of (10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) 2-(3-ethenylimidazol-1-ium-1-yl)acetate is 82571-86-6.
What is the molecular formula of (10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) 2-(3-ethenylimidazol-1-ium-1-yl)acetate?
The molecular formula of (10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) 2-(3-ethenylimidazol-1-ium-1-yl)acetate is C26H35N2O3+.
What is the molecular weight of (10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) 2-(3-ethenylimidazol-1-ium-1-yl)acetate?
The molecular weight of (10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) 2-(3-ethenylimidazol-1-ium-1-yl)acetate is 423.26 g/mol.
Where can I buy (10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) 2-(3-ethenylimidazol-1-ium-1-yl)acetate?
You can request a quote for (10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) 2-(3-ethenylimidazol-1-ium-1-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) 2-(3-ethenylimidazol-1-ium-1-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for (10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) 2-(3-ethenylimidazol-1-ium-1-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.