5-Cyanogramine
TL;DR: 5-Cyanogramine (CAS 25514-67-4) is a chemical compound with molecular formula C12H13N3 and molecular weight 199.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(dimethylamino)methyl]-1H-indole-5-carbonitrile
Also Known As: 5-Cyanogramine, 3-((dimethylamino)methyl)-1H-indole-5-carbonitrile, 3-[(dimethylamino)methyl]-1H-indole-5-carbonitrile, 3-(Dimethylaminomethyl)indole-5-carbonitrile, 5-cyano-3-(dimethylamino)methyl-1H-indole
| Molecular Formula | C12H13N3 |
|---|---|
| Molecular Weight | 199.11 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 42.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.11095 |
| Heavy Atoms | 15 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 25514-67-4 |
|---|---|
| SMILES | CN(C)CC1=CNC2=C1C=C(C=C2)C#N |
| InChIKey | JOPBIDDQPQFQHZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Cyanogramine (CAS 25514-67-4), with molecular formula C12H13N3 and molecular weight 199.11 g/mol. IUPAC: 3-[(dimethylamino)methyl]-1H-indole-5-carbonitrile.
Chemical Property Profile of 5-Cyanogramine
Property Insights of 5-Cyanogramine
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Cyanogramine. With a topological polar surface area (TPSA) of 42.8 Ų, 5-Cyanogramine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Cyanogramine 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 5-Cyanogramine?
The CAS number of 5-Cyanogramine is 25514-67-4.
What is the molecular formula of 5-Cyanogramine?
The molecular formula of 5-Cyanogramine is C12H13N3.
What is the molecular weight of 5-Cyanogramine?
The molecular weight of 5-Cyanogramine is 199.11 g/mol.
Where can I buy 5-Cyanogramine?
You can request a quote for 5-Cyanogramine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Cyanogramine?
Yes, KEHONG BIO provides custom synthesis services for 5-Cyanogramine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.