C14H18N6
TL;DR: C14H18N6 (CAS 87689-03-0) is a chemical compound with molecular formula C14H18N6 and molecular weight 270.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-1-[(E)-butylideneamino]-2-propyl-2H-pyrrole-3,3,4-tricarbonitrile
Also Known As: (E)-5-amino-1-(butylideneamino)-2-propyl-1H-pyrrole-3,3,4(2H)-tricarbonitrile, 5-amino-1-[(1E)-butylideneamino]-2-propyl-1,2-dihydro-3H-pyrrole-3,3,4-tricarbonitrile
| Molecular Formula | C14H18N6 |
|---|---|
| Molecular Weight | 270.16 g/mol |
| LogP | 1.98404 |
| Topological Polar Surface Area | 112.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 270.1593 |
| Heavy Atoms | 20 |
| Complexity | 525.4821 |
Chemical Identifiers
| CAS Number | 87689-03-0 |
|---|---|
| SMILES | CCC/C=N/N1C(C(C(=C1N)C#N)(C#N)C#N)CCC |
Product Overview
C14H18N6 (CAS 87689-03-0), with molecular formula C14H18N6 and molecular weight 270.16 g/mol. IUPAC: 5-amino-1-[(E)-butylideneamino]-2-propyl-2H-pyrrole-3,3,4-tricarbonitrile.
Chemical Property Profile of C14H18N6
Property Insights of C14H18N6
The XLogP value of 1.98404 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C14H18N6. The TPSA of 112.99 Ų falls within the moderate polarity range, balancing permeability and solubility for C14H18N6. Following Lipinski's Rule of Five, C14H18N6 has 1 hydrogen bond donor(s) and 6 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 C14H18N6?
The CAS number of C14H18N6 is 87689-03-0.
What is the molecular formula of C14H18N6?
The molecular formula of C14H18N6 is C14H18N6.
What is the molecular weight of C14H18N6?
The molecular weight of C14H18N6 is 270.16 g/mol.
Where can I buy C14H18N6?
You can request a quote for C14H18N6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C14H18N6?
Yes, KEHONG BIO provides custom synthesis services for C14H18N6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.