![2-[(3aR)-3a,4,4-trimethyl-2-oxo-1H-imidazo[1,2-a]indol-3-yl]acetonitrile structure](/static/products/314/314726-70-0.png)
2-[(3aR)-3a,4,4-trimethyl-2-oxo-1H-imidazo[1,2-a]indol-3-yl]acetonitrile
TL;DR: 2-[(3aR)-3a,4,4-trimethyl-2-oxo-1H-imidazo[1,2-a]indol-3-yl]acetonitrile (CAS 314726-70-0) is a chemical compound with molecular formula C15H17N3O and molecular weight 255.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3aR)-3a,4,4-trimethyl-2-oxo-1H-imidazo[1,2-a]indol-3-yl]acetonitrile
Also Known As: 2-[(3aR)-3a,4,4-trimethyl-2-oxo-1H-imidazo[1,2-a]indol-3-yl]acetonitrile, (R)-2-(9,9,9a-trimethyl-2-oxo-2,3,9,9a-tetrahydro-1H-imidazo[1,2-a]indol-1-yl)acetonitrile, [(9aR)-9,9,9a-trimethyl-2-oxo-2,3,9,9a-tetrahydro-1H-imidazo[1,2-a]indol-1-yl]acetonitrile
| Molecular Formula | C15H17N3O |
|---|---|
| Molecular Weight | 255.14 g/mol |
| LogP | 1.86618 |
| Topological Polar Surface Area | 47.34 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 255.13716 |
| Heavy Atoms | 19 |
| Complexity | 601.6534 |
Chemical Identifiers
| CAS Number | 314726-70-0 |
|---|---|
| SMILES | C[C@@]12C(C3=CC=CC=C3N1CC(=O)N2CC#N)(C)C |
Product Overview
2-[(3aR)-3a,4,4-trimethyl-2-oxo-1H-imidazo[1,2-a]indol-3-yl]acetonitrile (CAS 314726-70-0), with molecular formula C15H17N3O and molecular weight 255.14 g/mol. IUPAC: 2-[(3aR)-3a,4,4-trimethyl-2-oxo-1H-imidazo[1,2-a]indol-3-yl]acetonitrile.
Chemical Property Profile of 2-[(3aR)-3a,4,4-trimethyl-2-oxo-1H-imidazo[1,2-a]indol-3-yl]acetonitrile
Property Insights of 2-[(3aR)-3a,4,4-trimethyl-2-oxo-1H-imidazo[1,2-a]indol-3-yl]acetonitrile
The XLogP value of 1.86618 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3aR)-3a,4,4-trimethyl-2-oxo-1H-imidazo[1,2-a]indol-3-yl]acetonitrile. With a topological polar surface area (TPSA) of 47.34 Ų, 2-[(3aR)-3a,4,4-trimethyl-2-oxo-1H-imidazo[1,2-a]indol-3-yl]acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(3aR)-3a,4,4-trimethyl-2-oxo-1H-imidazo[1,2-a]indol-3-yl]acetonitrile 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 2-[(3aR)-3a,4,4-trimethyl-2-oxo-1H-imidazo[1,2-a]indol-3-yl]acetonitrile?
The CAS number of 2-[(3aR)-3a,4,4-trimethyl-2-oxo-1H-imidazo[1,2-a]indol-3-yl]acetonitrile is 314726-70-0.
What is the molecular formula of 2-[(3aR)-3a,4,4-trimethyl-2-oxo-1H-imidazo[1,2-a]indol-3-yl]acetonitrile?
The molecular formula of 2-[(3aR)-3a,4,4-trimethyl-2-oxo-1H-imidazo[1,2-a]indol-3-yl]acetonitrile is C15H17N3O.
What is the molecular weight of 2-[(3aR)-3a,4,4-trimethyl-2-oxo-1H-imidazo[1,2-a]indol-3-yl]acetonitrile?
The molecular weight of 2-[(3aR)-3a,4,4-trimethyl-2-oxo-1H-imidazo[1,2-a]indol-3-yl]acetonitrile is 255.14 g/mol.
Where can I buy 2-[(3aR)-3a,4,4-trimethyl-2-oxo-1H-imidazo[1,2-a]indol-3-yl]acetonitrile?
You can request a quote for 2-[(3aR)-3a,4,4-trimethyl-2-oxo-1H-imidazo[1,2-a]indol-3-yl]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3aR)-3a,4,4-trimethyl-2-oxo-1H-imidazo[1,2-a]indol-3-yl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3aR)-3a,4,4-trimethyl-2-oxo-1H-imidazo[1,2-a]indol-3-yl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.