二溴基氰乙酰胺
TL;DR: 二溴基氰乙酰胺 (CAS 10222-01-2) is a chemical compound with molecular formula C3H2Br2N2O and molecular weight 239.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二溴基氰乙酰胺
2,2-dibromo-2-cyanoacetamide
Also Known As: 2,2-DIBROMO-2-CYANOACETAMIDE, Dibromocyanoacetamide, Dbnpa, 2,2-Dibromo-3-nitrilopropionamide, Acetamide, 2,2-dibromo-2-cyano-
| Molecular Formula | C3H2Br2N2O |
|---|---|
| Molecular Weight | 239.85 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 66.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 241.85133 |
| Heavy Atoms | 8 |
| Complexity | 156.0 |
| Melting Point | 123 to 126 °C |
| Boiling Point | Decomposes at 190 °C |
| Solubility | In water, 1.5 g/100 mL (15,000 mg/L) |
| Vapor Pressure | 0.0009 [mmHg] |
Chemical Identifiers
| CAS Number | 10222-01-2 |
|---|---|
| SMILES | C(#N)C(C(=O)N)(Br)Br |
| InChIKey | UUIVKBHZENILKB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二溴基氰乙酰胺 (CAS 10222-01-2), with molecular formula C3H2Br2N2O and molecular weight 239.85 g/mol. IUPAC: 2,2-dibromo-2-cyanoacetamide.
Chemical Property Profile of 二溴基氰乙酰胺
Property Insights of 二溴基氰乙酰胺
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 二溴基氰乙酰胺. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 二溴基氰乙酰胺. Following Lipinski's Rule of Five, 二溴基氰乙酰胺 has 1 hydrogen bond donor(s) and 2 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 二溴基氰乙酰胺?
The CAS number of 二溴基氰乙酰胺 is 10222-01-2.
What is the molecular formula of 二溴基氰乙酰胺?
The molecular formula of 二溴基氰乙酰胺 is C3H2Br2N2O.
What is the molecular weight of 二溴基氰乙酰胺?
The molecular weight of 二溴基氰乙酰胺 is 239.85 g/mol.
Where can I buy 二溴基氰乙酰胺?
You can request a quote for 二溴基氰乙酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二溴基氰乙酰胺?
Yes, KEHONG BIO provides custom synthesis services for 二溴基氰乙酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.