1-Cyanoethyl-semicarbazide
TL;DR: 1-Cyanoethyl-semicarbazide (CAS 903640-39-1) is a chemical compound with molecular formula C4H8N4O and molecular weight 128.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-cyanoethylamino)urea
Also Known As: (1-cyanoethylamino)urea, 1-Cyanoethyl-semicarbazide, 1-(1-cyano-ethyl)-semicarbazide
| Molecular Formula | C4H8N4O |
|---|---|
| Molecular Weight | 128.07 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 90.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 128.06981 |
| Heavy Atoms | 9 |
| Complexity | 146.0 |
Chemical Identifiers
| CAS Number | 903640-39-1 |
|---|---|
| SMILES | CC(C#N)NNC(=O)N |
| InChIKey | ZWBGMHQFPHRDEI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Cyanoethyl-semicarbazide (CAS 903640-39-1), with molecular formula C4H8N4O and molecular weight 128.07 g/mol. IUPAC: (1-cyanoethylamino)urea.
Chemical Property Profile of 1-Cyanoethyl-semicarbazide
Property Insights of 1-Cyanoethyl-semicarbazide
The XLogP value of -1.1 indicates that 1-Cyanoethyl-semicarbazide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 90.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Cyanoethyl-semicarbazide. Following Lipinski's Rule of Five, 1-Cyanoethyl-semicarbazide has 3 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 1-Cyanoethyl-semicarbazide?
The CAS number of 1-Cyanoethyl-semicarbazide is 903640-39-1.
What is the molecular formula of 1-Cyanoethyl-semicarbazide?
The molecular formula of 1-Cyanoethyl-semicarbazide is C4H8N4O.
What is the molecular weight of 1-Cyanoethyl-semicarbazide?
The molecular weight of 1-Cyanoethyl-semicarbazide is 128.07 g/mol.
Where can I buy 1-Cyanoethyl-semicarbazide?
You can request a quote for 1-Cyanoethyl-semicarbazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Cyanoethyl-semicarbazide?
Yes, KEHONG BIO provides custom synthesis services for 1-Cyanoethyl-semicarbazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.