![6-Imino-6,7-dihydro-5H-dibenzo[a,c]cycloheptene-5-carbonitrile structure](/static/products/7443/74439-17-1.webp)
6-Imino-6,7-dihydro-5H-dibenzo[a,c]cycloheptene-5-carbonitrile
TL;DR: 6-Imino-6,7-dihydro-5H-dibenzo[a,c]cycloheptene-5-carbonitrile (CAS 74439-17-1) is a chemical compound with molecular formula C16H12N2 and molecular weight 232.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-iminotricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaene-8-carbonitrile
Also Known As: NCIOpen2_003754, [4-(2-methylbutoxy)phenyl] 4-decoxybenzoate, 6-Imino-6,7-dihydro-5H-dibenzo(a,c)cycloheptene-5-carbonitrile, 6-Imino-6,7-dihydro-5H-dibenzo[a,c]cycloheptene-5-carbonitrile, 1-(4-bromophenyl)-2-(4-phenylpyrimidin-1-ium-1-yl)ethanone,bromide
| Molecular Formula | C16H12N2 |
|---|---|
| Molecular Weight | 232.10 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 232.10005 |
| Heavy Atoms | 18 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 74439-17-1 |
|---|---|
| SMILES | C1C2=CC=CC=C2C3=CC=CC=C3C(C1=N)C#N |
| InChIKey | UGFOMFGCDBVENN-UHFFFAOYSA-N |
Product Overview
6-Imino-6,7-dihydro-5H-dibenzo[a,c]cycloheptene-5-carbonitrile (CAS 74439-17-1), with molecular formula C16H12N2 and molecular weight 232.10 g/mol. IUPAC: 9-iminotricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaene-8-carbonitrile.
Chemical Property Profile of 6-Imino-6,7-dihydro-5H-dibenzo[a,c]cycloheptene-5-carbonitrile
Property Insights of 6-Imino-6,7-dihydro-5H-dibenzo[a,c]cycloheptene-5-carbonitrile
The XLogP value of 3.0 indicates that 6-Imino-6,7-dihydro-5H-dibenzo[a,c]cycloheptene-5-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, 6-Imino-6,7-dihydro-5H-dibenzo[a,c]cycloheptene-5-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Imino-6,7-dihydro-5H-dibenzo[a,c]cycloheptene-5-carbonitrile 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 6-Imino-6,7-dihydro-5H-dibenzo[a,c]cycloheptene-5-carbonitrile?
The CAS number of 6-Imino-6,7-dihydro-5H-dibenzo[a,c]cycloheptene-5-carbonitrile is 74439-17-1.
What is the molecular formula of 6-Imino-6,7-dihydro-5H-dibenzo[a,c]cycloheptene-5-carbonitrile?
The molecular formula of 6-Imino-6,7-dihydro-5H-dibenzo[a,c]cycloheptene-5-carbonitrile is C16H12N2.
What is the molecular weight of 6-Imino-6,7-dihydro-5H-dibenzo[a,c]cycloheptene-5-carbonitrile?
The molecular weight of 6-Imino-6,7-dihydro-5H-dibenzo[a,c]cycloheptene-5-carbonitrile is 232.10 g/mol.
Where can I buy 6-Imino-6,7-dihydro-5H-dibenzo[a,c]cycloheptene-5-carbonitrile?
You can request a quote for 6-Imino-6,7-dihydro-5H-dibenzo[a,c]cycloheptene-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Imino-6,7-dihydro-5H-dibenzo[a,c]cycloheptene-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-Imino-6,7-dihydro-5H-dibenzo[a,c]cycloheptene-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.