2,3,4,9-tetrahydro-1H-carbazole-8-carbonitrile
TL;DR: 2,3,4,9-tetrahydro-1H-carbazole-8-carbonitrile (CAS 352549-66-7) is a chemical compound with molecular formula C13H12N2 and molecular weight 196.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7,8,9-tetrahydro-5H-carbazole-1-carbonitrile
Also Known As: 2,3,4,9-tetrahydro-1H-carbazole-8-carbonitrile, 6,7,8,9-tetrahydro-5H-carbazole-1-carbonitrile, 6,7,8,9-tetrahydro-5~{H}-carbazole-1-carbonitrile, ZPI
| Molecular Formula | C13H12N2 |
|---|---|
| Molecular Weight | 196.10 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 39.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 196.10005 |
| Heavy Atoms | 15 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 352549-66-7 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=CC=CC(=C3N2)C#N |
| InChIKey | NCRVLCSQTZGLGA-UHFFFAOYSA-N |
Product Overview
2,3,4,9-tetrahydro-1H-carbazole-8-carbonitrile (CAS 352549-66-7), with molecular formula C13H12N2 and molecular weight 196.10 g/mol. IUPAC: 6,7,8,9-tetrahydro-5H-carbazole-1-carbonitrile.
Chemical Property Profile of 2,3,4,9-tetrahydro-1H-carbazole-8-carbonitrile
Property Insights of 2,3,4,9-tetrahydro-1H-carbazole-8-carbonitrile
The XLogP value of 3.0 indicates that 2,3,4,9-tetrahydro-1H-carbazole-8-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.6 Ų, 2,3,4,9-tetrahydro-1H-carbazole-8-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,4,9-tetrahydro-1H-carbazole-8-carbonitrile has 1 hydrogen bond donor(s) and 1 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 2,3,4,9-tetrahydro-1H-carbazole-8-carbonitrile?
The CAS number of 2,3,4,9-tetrahydro-1H-carbazole-8-carbonitrile is 352549-66-7.
What is the molecular formula of 2,3,4,9-tetrahydro-1H-carbazole-8-carbonitrile?
The molecular formula of 2,3,4,9-tetrahydro-1H-carbazole-8-carbonitrile is C13H12N2.
What is the molecular weight of 2,3,4,9-tetrahydro-1H-carbazole-8-carbonitrile?
The molecular weight of 2,3,4,9-tetrahydro-1H-carbazole-8-carbonitrile is 196.10 g/mol.
Where can I buy 2,3,4,9-tetrahydro-1H-carbazole-8-carbonitrile?
You can request a quote for 2,3,4,9-tetrahydro-1H-carbazole-8-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,4,9-tetrahydro-1H-carbazole-8-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4,9-tetrahydro-1H-carbazole-8-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.