3-Amino-N-aminoiminomethyl-5-azacyclotridec-1-yl-6-chloropyrazinecarboxamide
TL;DR: 3-Amino-N-aminoiminomethyl-5-azacyclotridec-1-yl-6-chloropyrazinecarboxamide (CAS 115087-91-7) is a chemical compound with molecular formula C18H30ClN7O and molecular weight 395.22003 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-amino-5-(azacyclotridec-1-yl)-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide
Also Known As: C-(5-Methyl-1H-benzoimidazol-2-yl)-methylamine, 3-Amino-N-aminoiminomethyl-5-azacyclotridec-1-yl-6-chloropyrazinecarboxamide, 3-amino-5-(azacyclotridec-1-yl)-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide, 2-Pyrazinecarboxamide,3-amino-N-(aminoiminomethyl)-5-(1-azacyclotridecyl)-6-chloro-, 3-AMINO-5-(1-AZACYCLOTRIDEC-1-YL)-6-CHLORO-N-(DIAMINOMETHYLIDENE)PYRAZ INE-2-CARBOXAMIDE
Technical Specifications
| Molecular Formula | C18H30ClN7O |
| Molecular Weight | 395.22003 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 137.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 395.22003 Da |
| Heavy Atoms | 27 |
| Complexity | 472.0 |
| SMILES | C1CCCCCCN(CCCCC1)C2=NC(=C(N=C2Cl)C(=O)N=C(N)N)N |
| InChIKey | HDKCYEOARZXCLR-UHFFFAOYSA-N |
Chemical Property Profile of 3-Amino-N-aminoiminomethyl-5-azacyclotridec-1-yl-6-chloropyrazinecarboxamide
Property Insights of 3-Amino-N-aminoiminomethyl-5-azacyclotridec-1-yl-6-chloropyrazinecarboxamide
The XLogP value of 4.6 indicates that 3-Amino-N-aminoiminomethyl-5-azacyclotridec-1-yl-6-chloropyrazinecarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-N-aminoiminomethyl-5-azacyclotridec-1-yl-6-chloropyrazinecarboxamide. Following Lipinski's Rule of Five, 3-Amino-N-aminoiminomethyl-5-azacyclotridec-1-yl-6-chloropyrazinecarboxamide has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Amino-N-aminoiminomethyl-5-azacyclotridec-1-yl-6-chloropyrazinecarboxamide?
The CAS number of 3-Amino-N-aminoiminomethyl-5-azacyclotridec-1-yl-6-chloropyrazinecarboxamide is 115087-91-7.
What is the molecular formula of 3-Amino-N-aminoiminomethyl-5-azacyclotridec-1-yl-6-chloropyrazinecarboxamide?
The molecular formula of 3-Amino-N-aminoiminomethyl-5-azacyclotridec-1-yl-6-chloropyrazinecarboxamide is C18H30ClN7O.
What is the molecular weight of 3-Amino-N-aminoiminomethyl-5-azacyclotridec-1-yl-6-chloropyrazinecarboxamide?
The molecular weight of 3-Amino-N-aminoiminomethyl-5-azacyclotridec-1-yl-6-chloropyrazinecarboxamide is 395.22003 g/mol.
Where can I buy 3-Amino-N-aminoiminomethyl-5-azacyclotridec-1-yl-6-chloropyrazinecarboxamide?
You can request a quote for 3-Amino-N-aminoiminomethyl-5-azacyclotridec-1-yl-6-chloropyrazinecarboxamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Amino-N-aminoiminomethyl-5-azacyclotridec-1-yl-6-chloropyrazinecarboxamide?
Yes, CoreyChem provides custom synthesis services for 3-Amino-N-aminoiminomethyl-5-azacyclotridec-1-yl-6-chloropyrazinecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.