(1-Oxo-2,3,4,9-tetrahydro-1h-carbazol-3-yl)acetonitrile
TL;DR: (1-Oxo-2,3,4,9-tetrahydro-1h-carbazol-3-yl)acetonitrile (CAS 40754-99-2) is a chemical compound with molecular formula C14H12N2O and molecular weight 224.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-oxo-2,3,4,9-tetrahydrocarbazol-3-yl)acetonitrile
Also Known As: KST-1A4666, (1-oxo-2,3,4,9-tetrahydro-1h-carbazol-3-yl)acetonitrile, 2-(1-oxo-2,3,4,9-tetrahydrocarbazol-3-yl)acetonitrile, (1-oxo-1,2,3,4-tetrahydro-carbazol-3-yl)-acetonitrile
| Molecular Formula | C14H12N2O |
|---|---|
| Molecular Weight | 224.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 56.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 224.09496 |
| Heavy Atoms | 17 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 40754-99-2 |
|---|---|
| SMILES | C1C(CC(=O)C2=C1C3=CC=CC=C3N2)CC#N |
| InChIKey | MQUZKNZMUMRHBL-UHFFFAOYSA-N |
Product Overview
(1-Oxo-2,3,4,9-tetrahydro-1h-carbazol-3-yl)acetonitrile (CAS 40754-99-2), with molecular formula C14H12N2O and molecular weight 224.09 g/mol. IUPAC: 2-(1-oxo-2,3,4,9-tetrahydrocarbazol-3-yl)acetonitrile.
Chemical Property Profile of (1-Oxo-2,3,4,9-tetrahydro-1h-carbazol-3-yl)acetonitrile
Property Insights of (1-Oxo-2,3,4,9-tetrahydro-1h-carbazol-3-yl)acetonitrile
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1-Oxo-2,3,4,9-tetrahydro-1h-carbazol-3-yl)acetonitrile. With a topological polar surface area (TPSA) of 56.7 Ų, (1-Oxo-2,3,4,9-tetrahydro-1h-carbazol-3-yl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1-Oxo-2,3,4,9-tetrahydro-1h-carbazol-3-yl)acetonitrile 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 (1-Oxo-2,3,4,9-tetrahydro-1h-carbazol-3-yl)acetonitrile?
The CAS number of (1-Oxo-2,3,4,9-tetrahydro-1h-carbazol-3-yl)acetonitrile is 40754-99-2.
What is the molecular formula of (1-Oxo-2,3,4,9-tetrahydro-1h-carbazol-3-yl)acetonitrile?
The molecular formula of (1-Oxo-2,3,4,9-tetrahydro-1h-carbazol-3-yl)acetonitrile is C14H12N2O.
What is the molecular weight of (1-Oxo-2,3,4,9-tetrahydro-1h-carbazol-3-yl)acetonitrile?
The molecular weight of (1-Oxo-2,3,4,9-tetrahydro-1h-carbazol-3-yl)acetonitrile is 224.09 g/mol.
Where can I buy (1-Oxo-2,3,4,9-tetrahydro-1h-carbazol-3-yl)acetonitrile?
You can request a quote for (1-Oxo-2,3,4,9-tetrahydro-1h-carbazol-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 (1-Oxo-2,3,4,9-tetrahydro-1h-carbazol-3-yl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (1-Oxo-2,3,4,9-tetrahydro-1h-carbazol-3-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.