![(alphaR,2R,3R,3aS,6aR)-3-(Acetyloxy)octahydro-alpha-[hydroxy(phenylmethyl)amino]-5,5-dimethylcyclopenta[b]pyrrole-2-acetonitrile structure](/static/products/959/959579-85-2.png)
(alphaR,2R,3R,3aS,6aR)-3-(Acetyloxy)octahydro-alpha-[hydroxy(phenylmethyl)amino]-5,5-dimethylcyclopenta[b]pyrrole-2-acetonitrile
TL;DR: (alphaR,2R,3R,3aS,6aR)-3-(Acetyloxy)octahydro-alpha-[hydroxy(phenylmethyl)amino]-5,5-dimethylcyclopenta[b]pyrrole-2-acetonitrile (CAS 959579-85-2) is a chemical compound with molecular formula C20H27N3O3 and molecular weight 357.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,3aS,6aR)-2-[(R)-[benzyl(hydroxy)amino]-cyanomethyl]-5,5-dimethyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3-yl] acetate
Also Known As: (alphaR,2R,3R,3aS,6aR)-3-(Acetyloxy)octahydro-alpha-[hydroxy(phenylmethyl)amino]-5,5-dimethylcyclopenta[b]pyrrole-2-acetonitrile, (I+/-R,2R,3R,3aS,6aR)-3-(Acetyloxy)octahydro-I+/--[hydroxy(phenylmethyl)amino]-5,5-dimethylcyclopenta[b]pyrrole-2-acetonitrile, [(2R,3R,3aS,6aR)-2-[(R)-[benzyl(hydroxy)amino]-cyanomethyl]-5,5-dimethyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3-yl] acetate, [3-[(benzyl-hydroxy-amino)-cyano-methyl]-7,7-dimethyl-4-azabicyclo[3.3.0]oct-2-yl] Acetate
| Molecular Formula | C20H27N3O3 |
|---|---|
| Molecular Weight | 357.21 g/mol |
| LogP | 2.47828 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 357.20523 |
| Heavy Atoms | 26 |
| Complexity | 685.2919 |
Chemical Identifiers
| CAS Number | 959579-85-2 |
|---|---|
| SMILES | CC(=O)O[C@@H]1[C@H]2CC(C[C@H]2N[C@@H]1[C@H](C#N)N(CC3=CC=CC=C3)O)(C)C |
Product Overview
(alphaR,2R,3R,3aS,6aR)-3-(Acetyloxy)octahydro-alpha-[hydroxy(phenylmethyl)amino]-5,5-dimethylcyclopenta[b]pyrrole-2-acetonitrile (CAS 959579-85-2), with molecular formula C20H27N3O3 and molecular weight 357.21 g/mol. IUPAC: [(2R,3R,3aS,6aR)-2-[(R)-[benzyl(hydroxy)amino]-cyanomethyl]-5,5-dimethyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3-yl] acetate.
Chemical Property Profile of (alphaR,2R,3R,3aS,6aR)-3-(Acetyloxy)octahydro-alpha-[hydroxy(phenylmethyl)amino]-5,5-dimethylcyclopenta[b]pyrrole-2-acetonitrile
Property Insights of (alphaR,2R,3R,3aS,6aR)-3-(Acetyloxy)octahydro-alpha-[hydroxy(phenylmethyl)amino]-5,5-dimethylcyclopenta[b]pyrrole-2-acetonitrile
The XLogP value of 2.47828 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (alphaR,2R,3R,3aS,6aR)-3-(Acetyloxy)octahydro-alpha-[hydroxy(phenylmethyl)amino]-5,5-dimethylcyclopenta[b]pyrrole-2-acetonitrile. The TPSA of 85.59 Ų falls within the moderate polarity range, balancing permeability and solubility for (alphaR,2R,3R,3aS,6aR)-3-(Acetyloxy)octahydro-alpha-[hydroxy(phenylmethyl)amino]-5,5-dimethylcyclopenta[b]pyrrole-2-acetonitrile. Following Lipinski's Rule of Five, (alphaR,2R,3R,3aS,6aR)-3-(Acetyloxy)octahydro-alpha-[hydroxy(phenylmethyl)amino]-5,5-dimethylcyclopenta[b]pyrrole-2-acetonitrile has 2 hydrogen bond donor(s) and 6 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 (alphaR,2R,3R,3aS,6aR)-3-(Acetyloxy)octahydro-alpha-[hydroxy(phenylmethyl)amino]-5,5-dimethylcyclopenta[b]pyrrole-2-acetonitrile?
The CAS number of (alphaR,2R,3R,3aS,6aR)-3-(Acetyloxy)octahydro-alpha-[hydroxy(phenylmethyl)amino]-5,5-dimethylcyclopenta[b]pyrrole-2-acetonitrile is 959579-85-2.
What is the molecular formula of (alphaR,2R,3R,3aS,6aR)-3-(Acetyloxy)octahydro-alpha-[hydroxy(phenylmethyl)amino]-5,5-dimethylcyclopenta[b]pyrrole-2-acetonitrile?
The molecular formula of (alphaR,2R,3R,3aS,6aR)-3-(Acetyloxy)octahydro-alpha-[hydroxy(phenylmethyl)amino]-5,5-dimethylcyclopenta[b]pyrrole-2-acetonitrile is C20H27N3O3.
What is the molecular weight of (alphaR,2R,3R,3aS,6aR)-3-(Acetyloxy)octahydro-alpha-[hydroxy(phenylmethyl)amino]-5,5-dimethylcyclopenta[b]pyrrole-2-acetonitrile?
The molecular weight of (alphaR,2R,3R,3aS,6aR)-3-(Acetyloxy)octahydro-alpha-[hydroxy(phenylmethyl)amino]-5,5-dimethylcyclopenta[b]pyrrole-2-acetonitrile is 357.21 g/mol.
Where can I buy (alphaR,2R,3R,3aS,6aR)-3-(Acetyloxy)octahydro-alpha-[hydroxy(phenylmethyl)amino]-5,5-dimethylcyclopenta[b]pyrrole-2-acetonitrile?
You can request a quote for (alphaR,2R,3R,3aS,6aR)-3-(Acetyloxy)octahydro-alpha-[hydroxy(phenylmethyl)amino]-5,5-dimethylcyclopenta[b]pyrrole-2-acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (alphaR,2R,3R,3aS,6aR)-3-(Acetyloxy)octahydro-alpha-[hydroxy(phenylmethyl)amino]-5,5-dimethylcyclopenta[b]pyrrole-2-acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (alphaR,2R,3R,3aS,6aR)-3-(Acetyloxy)octahydro-alpha-[hydroxy(phenylmethyl)amino]-5,5-dimethylcyclopenta[b]pyrrole-2-acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.