1-benzyl-4-dimethylamino-6-chloro-7-cyano-5-azaindoline
TL;DR: 1-benzyl-4-dimethylamino-6-chloro-7-cyano-5-azaindoline (CAS 78394-60-2) is a chemical compound with molecular formula C17H17ClN4 and molecular weight 312.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-6-chloro-4-(dimethylamino)-2,3-dihydropyrrolo[3,2-c]pyridine-7-carbonitrile
Also Known As: 1-benzyl-4-dimethylamino-6-chloro-7-cyano-5-azaindoline, 1-benzyl-6-chloro-4-(dimethylamino)-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-7-carbonitrile, 1-benzyl-6-chloro-4-(dimethylamino)-2,3-dihydropyrrolo[3,2-c]pyridine-7-carbonitrile, 7-benzyl-4-chloro-2-dimethylamino-3,7-diazabicyclo[4.3.0]nona-2,4,10-triene-5-carbonitrile
| Molecular Formula | C17H17ClN4 |
|---|---|
| Molecular Weight | 312.11 g/mol |
| LogP | 3.23538 |
| Topological Polar Surface Area | 43.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.11417 |
| Heavy Atoms | 22 |
| Complexity | 734.5595 |
Chemical Identifiers
| CAS Number | 78394-60-2 |
|---|---|
| SMILES | CN(C)C1=NC(=C(C2=C1CCN2CC3=CC=CC=C3)C#N)Cl |
Product Overview
1-benzyl-4-dimethylamino-6-chloro-7-cyano-5-azaindoline (CAS 78394-60-2), with molecular formula C17H17ClN4 and molecular weight 312.11 g/mol. IUPAC: 1-benzyl-6-chloro-4-(dimethylamino)-2,3-dihydropyrrolo[3,2-c]pyridine-7-carbonitrile.
Chemical Property Profile of 1-benzyl-4-dimethylamino-6-chloro-7-cyano-5-azaindoline
Property Insights of 1-benzyl-4-dimethylamino-6-chloro-7-cyano-5-azaindoline
The XLogP value of 3.23538 indicates that 1-benzyl-4-dimethylamino-6-chloro-7-cyano-5-azaindoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.16 Ų, 1-benzyl-4-dimethylamino-6-chloro-7-cyano-5-azaindoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-benzyl-4-dimethylamino-6-chloro-7-cyano-5-azaindoline has 0 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-benzyl-4-dimethylamino-6-chloro-7-cyano-5-azaindoline?
The CAS number of 1-benzyl-4-dimethylamino-6-chloro-7-cyano-5-azaindoline is 78394-60-2.
What is the molecular formula of 1-benzyl-4-dimethylamino-6-chloro-7-cyano-5-azaindoline?
The molecular formula of 1-benzyl-4-dimethylamino-6-chloro-7-cyano-5-azaindoline is C17H17ClN4.
What is the molecular weight of 1-benzyl-4-dimethylamino-6-chloro-7-cyano-5-azaindoline?
The molecular weight of 1-benzyl-4-dimethylamino-6-chloro-7-cyano-5-azaindoline is 312.11 g/mol.
Where can I buy 1-benzyl-4-dimethylamino-6-chloro-7-cyano-5-azaindoline?
You can request a quote for 1-benzyl-4-dimethylamino-6-chloro-7-cyano-5-azaindoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-benzyl-4-dimethylamino-6-chloro-7-cyano-5-azaindoline?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-4-dimethylamino-6-chloro-7-cyano-5-azaindoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.