碳亚胺酸N-氰基二甲酯
TL;DR: 碳亚胺酸N-氰基二甲酯 (CAS 24771-25-3) is a chemical compound with molecular formula C4H6N2O2 and molecular weight 114.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
碳亚胺酸N-氰基二甲酯
dimethoxymethylidenecyanamide
Also Known As: Dimethyl cyanocarbonimidate, dimethoxymethylidenecyanamide, Dimethyl (N-cyanoimido)carbonate, methyl N-cyanomethoxycarboximidate, Cimetidine Impurity 17
| Molecular Formula | C4H6N2O2 |
|---|---|
| Molecular Weight | 114.04 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 54.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 114.04293 |
| Heavy Atoms | 8 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 24771-25-3 |
|---|---|
| SMILES | COC(=NC#N)OC |
| InChIKey | ZOKYZTUQSVAKHS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
碳亚胺酸N-氰基二甲酯 (CAS 24771-25-3), with molecular formula C4H6N2O2 and molecular weight 114.04 g/mol. IUPAC: dimethoxymethylidenecyanamide.
Chemical Property Profile of 碳亚胺酸N-氰基二甲酯
Property Insights of 碳亚胺酸N-氰基二甲酯
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 碳亚胺酸N-氰基二甲酯. With a topological polar surface area (TPSA) of 54.6 Ų, 碳亚胺酸N-氰基二甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 碳亚胺酸N-氰基二甲酯 has 0 hydrogen bond donor(s) and 4 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 碳亚胺酸N-氰基二甲酯?
The CAS number of 碳亚胺酸N-氰基二甲酯 is 24771-25-3.
What is the molecular formula of 碳亚胺酸N-氰基二甲酯?
The molecular formula of 碳亚胺酸N-氰基二甲酯 is C4H6N2O2.
What is the molecular weight of 碳亚胺酸N-氰基二甲酯?
The molecular weight of 碳亚胺酸N-氰基二甲酯 is 114.04 g/mol.
Where can I buy 碳亚胺酸N-氰基二甲酯?
You can request a quote for 碳亚胺酸N-氰基二甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 碳亚胺酸N-氰基二甲酯?
Yes, KEHONG BIO provides custom synthesis services for 碳亚胺酸N-氰基二甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.