1-Allyl-2-imino-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carbonitrile
TL;DR: 1-Allyl-2-imino-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carbonitrile (CAS 372976-08-4) is a chemical compound with molecular formula C15H11N5O and molecular weight 277.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-imino-2-oxo-7-prop-2-enyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carbonitrile
Also Known As: ChemDiv3_004337, IDI1_022247, BAS 02234634, BRD-K49062026-001-01-6, 1-Allyl-2-imino-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carbonitrile
| Molecular Formula | C15H11N5O |
|---|---|
| Molecular Weight | 277.10 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 277.09637 |
| Heavy Atoms | 21 |
| Complexity | 769.0 |
Chemical Identifiers
| CAS Number | 372976-08-4 |
|---|---|
| SMILES | C=CCN1C2=C(C=C(C1=N)C#N)C(=O)N3C=CC=CC3=N2 |
| InChIKey | DKZJPZKQJUDODY-UHFFFAOYSA-N |
Product Overview
1-Allyl-2-imino-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carbonitrile (CAS 372976-08-4), with molecular formula C15H11N5O and molecular weight 277.10 g/mol. IUPAC: 6-imino-2-oxo-7-prop-2-enyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carbonitrile.
Chemical Property Profile of 1-Allyl-2-imino-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carbonitrile
Property Insights of 1-Allyl-2-imino-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carbonitrile
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Allyl-2-imino-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carbonitrile. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Allyl-2-imino-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carbonitrile. Following Lipinski's Rule of Five, 1-Allyl-2-imino-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carbonitrile has 1 hydrogen bond donor(s) and 4 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-Allyl-2-imino-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carbonitrile?
The CAS number of 1-Allyl-2-imino-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carbonitrile is 372976-08-4.
What is the molecular formula of 1-Allyl-2-imino-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carbonitrile?
The molecular formula of 1-Allyl-2-imino-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carbonitrile is C15H11N5O.
What is the molecular weight of 1-Allyl-2-imino-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carbonitrile?
The molecular weight of 1-Allyl-2-imino-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carbonitrile is 277.10 g/mol.
Where can I buy 1-Allyl-2-imino-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carbonitrile?
You can request a quote for 1-Allyl-2-imino-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Allyl-2-imino-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Allyl-2-imino-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.