Acacmehad
TL;DR: Acacmehad (CAS 125022-46-0) is a chemical compound with molecular formula C26H31FO9 and molecular weight 508.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[(8S,10S,11S,13S,14S,16R,17R)-16-acetyloxy-11,17-dideuteriooxy-9-fluoro-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2,3-dioxopropyl] acetate
Also Known As: Acacmehad, 16-Acetoxy-17-acetoxymethyl-11,17-dihydroxy-D-homoandrosta-1,4-diene-3,17-dione, [3-[(8S,10S,11S,13S,14S,16R,17R)-16-acetyloxy-11,17-dideuteriooxy-9-fluoro-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2,3-dioxopropyl] acetate
| Molecular Formula | C26H31FO9 |
|---|---|
| Molecular Weight | 508.21 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 508.20776 |
| Heavy Atoms | 36 |
| Complexity | 1110.0 |
Chemical Identifiers
| CAS Number | 125022-46-0 |
|---|---|
| SMILES | [2H]O[C@H]1C[C@]2([C@@H](C[C@H]([C@]2(C(=O)C(=O)COC(=O)C)O[2H])OC(=O)C)[C@H]3C1([C@]4(C=CC(=O)C=C4CC3)C)F)C |
| InChIKey | NJCNNKYIBDJTOX-AWYDKESQSA-N |
Product Overview
Acacmehad (CAS 125022-46-0), with molecular formula C26H31FO9 and molecular weight 508.21 g/mol. IUPAC: [3-[(8S,10S,11S,13S,14S,16R,17R)-16-acetyloxy-11,17-dideuteriooxy-9-fluoro-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2,3-dioxopropyl] acetate.
Chemical Property Profile of Acacmehad
Property Insights of Acacmehad
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acacmehad. The TPSA of 144.0 Ų indicates high polarity, suggesting Acacmehad may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acacmehad has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acacmehad?
The CAS number of Acacmehad is 125022-46-0.
What is the molecular formula of Acacmehad?
The molecular formula of Acacmehad is C26H31FO9.
What is the molecular weight of Acacmehad?
The molecular weight of Acacmehad is 508.21 g/mol.
Where can I buy Acacmehad?
You can request a quote for Acacmehad directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acacmehad?
Yes, KEHONG BIO provides custom synthesis services for Acacmehad and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.