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7-Benzoyl-7,8-dihydro[1,7]phenanthroline-8-carbonitrile
TL;DR: 7-Benzoyl-7,8-dihydro[1,7]phenanthroline-8-carbonitrile (CAS 35190-53-5) is a chemical compound with molecular formula C20H13N3O and molecular weight 311.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-benzoyl-8H-1,7-phenanthroline-8-carbonitrile
Also Known As: Carbonitrile der., 1, 7-benzoyl-7,8-dihydro-, 7-benzoyl-8H-1,7-phenanthroline-8-carbonitrile, 7-Benzoyl-7,8-dihydro[1,7]phenanthroline-8-carbonitrile, 7-benzoyl-7,8-dihydro-1,7-phenanthroline-8-carbonitrile
| Molecular Formula | C20H13N3O |
|---|---|
| Molecular Weight | 311.11 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 57.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 311.10587 |
| Heavy Atoms | 24 |
| Complexity | 556.0 |
Chemical Identifiers
| CAS Number | 35190-53-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)N2C(C=CC3=C2C=CC4=C3N=CC=C4)C#N |
| InChIKey | SUSVEGRGOYEOMQ-UHFFFAOYSA-N |
Product Overview
7-Benzoyl-7,8-dihydro[1,7]phenanthroline-8-carbonitrile (CAS 35190-53-5), with molecular formula C20H13N3O and molecular weight 311.11 g/mol. IUPAC: 7-benzoyl-8H-1,7-phenanthroline-8-carbonitrile.
Chemical Property Profile of 7-Benzoyl-7,8-dihydro[1,7]phenanthroline-8-carbonitrile
Property Insights of 7-Benzoyl-7,8-dihydro[1,7]phenanthroline-8-carbonitrile
The XLogP value of 3.6 indicates that 7-Benzoyl-7,8-dihydro[1,7]phenanthroline-8-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.0 Ų, 7-Benzoyl-7,8-dihydro[1,7]phenanthroline-8-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Benzoyl-7,8-dihydro[1,7]phenanthroline-8-carbonitrile 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 7-Benzoyl-7,8-dihydro[1,7]phenanthroline-8-carbonitrile?
The CAS number of 7-Benzoyl-7,8-dihydro[1,7]phenanthroline-8-carbonitrile is 35190-53-5.
What is the molecular formula of 7-Benzoyl-7,8-dihydro[1,7]phenanthroline-8-carbonitrile?
The molecular formula of 7-Benzoyl-7,8-dihydro[1,7]phenanthroline-8-carbonitrile is C20H13N3O.
What is the molecular weight of 7-Benzoyl-7,8-dihydro[1,7]phenanthroline-8-carbonitrile?
The molecular weight of 7-Benzoyl-7,8-dihydro[1,7]phenanthroline-8-carbonitrile is 311.11 g/mol.
Where can I buy 7-Benzoyl-7,8-dihydro[1,7]phenanthroline-8-carbonitrile?
You can request a quote for 7-Benzoyl-7,8-dihydro[1,7]phenanthroline-8-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Benzoyl-7,8-dihydro[1,7]phenanthroline-8-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 7-Benzoyl-7,8-dihydro[1,7]phenanthroline-8-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.