N-氰基氨基亚胺酸乙酯
TL;DR: N-氰基氨基亚胺酸乙酯 (CAS 13947-84-7) is a chemical compound with molecular formula C4H7N3O and molecular weight 113.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-氰基氨基亚胺酸乙酯
ethyl N'-cyanocarbamimidate
Also Known As: 1-Cyano-2-ethylpseudourea, ethyl n'-cyanocarbamimidate, N-cyano-O-ethylpseudourea, Pseudourea, 1-cyano-2-ethyl-, N/'-Cyano-O-ethylisourea
| Molecular Formula | C4H7N3O |
|---|---|
| Molecular Weight | 113.06 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 113.058914 |
| Heavy Atoms | 8 |
| Complexity | 131.0 |
Chemical Identifiers
| CAS Number | 13947-84-7 |
|---|---|
| SMILES | CCOC(=NC#N)N |
| InChIKey | GZDJNVITGJORKZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-氰基氨基亚胺酸乙酯 (CAS 13947-84-7), with molecular formula C4H7N3O and molecular weight 113.06 g/mol. IUPAC: ethyl N'-cyanocarbamimidate.
Chemical Property Profile of N-氰基氨基亚胺酸乙酯
Property Insights of N-氰基氨基亚胺酸乙酯
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-氰基氨基亚胺酸乙酯. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-氰基氨基亚胺酸乙酯. Following Lipinski's Rule of Five, N-氰基氨基亚胺酸乙酯 has 1 hydrogen bond donor(s) and 3 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 N-氰基氨基亚胺酸乙酯?
The CAS number of N-氰基氨基亚胺酸乙酯 is 13947-84-7.
What is the molecular formula of N-氰基氨基亚胺酸乙酯?
The molecular formula of N-氰基氨基亚胺酸乙酯 is C4H7N3O.
What is the molecular weight of N-氰基氨基亚胺酸乙酯?
The molecular weight of N-氰基氨基亚胺酸乙酯 is 113.06 g/mol.
Where can I buy N-氰基氨基亚胺酸乙酯?
You can request a quote for N-氰基氨基亚胺酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-氰基氨基亚胺酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for N-氰基氨基亚胺酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.