7,8-Dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrrolo(1,2-a)(1,3)diazepine-9-carbonitrile
TL;DR: 7,8-Dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrrolo(1,2-a)(1,3)diazepine-9-carbonitrile (CAS 60138-29-6) is a chemical compound with molecular formula C11H13N3O and molecular weight 203.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,8-dimethyl-2-oxo-1,3,4,5-tetrahydropyrrolo[1,2-a][1,3]diazepine-9-carbonitrile
Also Known As: 7,8-Dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrrolo(1,2-a)(1,3)diazepine-9-carbonitrile, 7,8-dimethyl-2-oxo-1,3,4,5-tetrahydropyrrolo[1,2-a][1,3]diazepine-9-carbonitrile, 7,8-dimethyl-2-oxo-1,3,4,5-tetrahydropyrrolo[1,2-a][1,3]diaz, 7,8-Dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,3]diazepine-9-carbonitrile, 1H-PYRROLO(1,2-A)(1,3)DIAZEPINE-9-CARBONITRILE, 2,3,4,5-TETRAHYDRO-7,8-DIMETHYL-2-OXO-
| Molecular Formula | C11H13N3O |
|---|---|
| Molecular Weight | 203.11 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 57.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 203.10587 |
| Heavy Atoms | 15 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 60138-29-6 |
|---|---|
| SMILES | CC1=C(N2CCCC(=O)NC2=C1C#N)C |
| InChIKey | TVYJBOTZGYCPKO-UHFFFAOYSA-N |
Product Overview
7,8-Dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrrolo(1,2-a)(1,3)diazepine-9-carbonitrile (CAS 60138-29-6), with molecular formula C11H13N3O and molecular weight 203.11 g/mol. IUPAC: 7,8-dimethyl-2-oxo-1,3,4,5-tetrahydropyrrolo[1,2-a][1,3]diazepine-9-carbonitrile.
Chemical Property Profile of 7,8-Dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrrolo(1,2-a)(1,3)diazepine-9-carbonitrile
Property Insights of 7,8-Dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrrolo(1,2-a)(1,3)diazepine-9-carbonitrile
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7,8-Dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrrolo(1,2-a)(1,3)diazepine-9-carbonitrile. With a topological polar surface area (TPSA) of 57.8 Ų, 7,8-Dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrrolo(1,2-a)(1,3)diazepine-9-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7,8-Dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrrolo(1,2-a)(1,3)diazepine-9-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 7,8-Dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrrolo(1,2-a)(1,3)diazepine-9-carbonitrile?
The CAS number of 7,8-Dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrrolo(1,2-a)(1,3)diazepine-9-carbonitrile is 60138-29-6.
What is the molecular formula of 7,8-Dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrrolo(1,2-a)(1,3)diazepine-9-carbonitrile?
The molecular formula of 7,8-Dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrrolo(1,2-a)(1,3)diazepine-9-carbonitrile is C11H13N3O.
What is the molecular weight of 7,8-Dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrrolo(1,2-a)(1,3)diazepine-9-carbonitrile?
The molecular weight of 7,8-Dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrrolo(1,2-a)(1,3)diazepine-9-carbonitrile is 203.11 g/mol.
Where can I buy 7,8-Dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrrolo(1,2-a)(1,3)diazepine-9-carbonitrile?
You can request a quote for 7,8-Dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrrolo(1,2-a)(1,3)diazepine-9-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,8-Dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrrolo(1,2-a)(1,3)diazepine-9-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 7,8-Dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrrolo(1,2-a)(1,3)diazepine-9-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.