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11-Oxo-5,7,8,9,10,11-hexahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile
TL;DR: 11-Oxo-5,7,8,9,10,11-hexahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile (CAS 385420-20-2) is a chemical compound with molecular formula C16H13N3O and molecular weight 263.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-oxo-7,8,9,10-tetrahydro-5H-benzimidazolo[1,2-b]isoquinoline-6-carbonitrile
Also Known As: BAS 00588912, 11-oxo-5,7,8,9,10,11-hexahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile, AE-641/00411036, 11-hydroxy-7,8,9,10-tetrahydrobenzo[4,5]imidazo[1,2-b]isoquinoline-6-carbonitrile, 11-oxo-7,8,9,10-tetrahydro-5H-benzimidazolo[1,2-b]isoquinoline-6-carbonitrile
| Molecular Formula | C16H13N3O |
|---|---|
| Molecular Weight | 263.11 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 56.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 263.10587 |
| Heavy Atoms | 20 |
| Complexity | 592.0 |
Chemical Identifiers
| CAS Number | 385420-20-2 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C3NC4=CC=CC=C4N3C2=O)C#N |
| InChIKey | FZCAPZLGWPWEPP-UHFFFAOYSA-N |
Product Overview
11-Oxo-5,7,8,9,10,11-hexahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile (CAS 385420-20-2), with molecular formula C16H13N3O and molecular weight 263.11 g/mol. IUPAC: 11-oxo-7,8,9,10-tetrahydro-5H-benzimidazolo[1,2-b]isoquinoline-6-carbonitrile.
Chemical Property Profile of 11-Oxo-5,7,8,9,10,11-hexahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile
Property Insights of 11-Oxo-5,7,8,9,10,11-hexahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 11-Oxo-5,7,8,9,10,11-hexahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile. With a topological polar surface area (TPSA) of 56.1 Ų, 11-Oxo-5,7,8,9,10,11-hexahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11-Oxo-5,7,8,9,10,11-hexahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile has 1 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 11-Oxo-5,7,8,9,10,11-hexahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile?
The CAS number of 11-Oxo-5,7,8,9,10,11-hexahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile is 385420-20-2.
What is the molecular formula of 11-Oxo-5,7,8,9,10,11-hexahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile?
The molecular formula of 11-Oxo-5,7,8,9,10,11-hexahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile is C16H13N3O.
What is the molecular weight of 11-Oxo-5,7,8,9,10,11-hexahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile?
The molecular weight of 11-Oxo-5,7,8,9,10,11-hexahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile is 263.11 g/mol.
Where can I buy 11-Oxo-5,7,8,9,10,11-hexahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile?
You can request a quote for 11-Oxo-5,7,8,9,10,11-hexahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-Oxo-5,7,8,9,10,11-hexahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 11-Oxo-5,7,8,9,10,11-hexahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.