苄基氰甲基氨基甲酸酯
TL;DR: 苄基氰甲基氨基甲酸酯 (CAS 40645-23-6) is a chemical compound with molecular formula C10H10N2O2 and molecular weight 190.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苄基氰甲基氨基甲酸酯
benzyl N-(cyanomethyl)carbamate
Also Known As: Benzyl (cyanomethyl)carbamate, Benzyl Cyanomethylcarbamate, benzyl N-(cyanomethyl)carbamate, N-Cbz-aminoacetonitrile, N-(Carbobenzoxy)aminoacetonitrile
| Molecular Formula | C10H10N2O2 |
|---|---|
| Molecular Weight | 190.07 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 62.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 190.07423 |
| Heavy Atoms | 14 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 40645-23-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)NCC#N |
| InChIKey | DVUXKEFDAGQPQU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苄基氰甲基氨基甲酸酯 (CAS 40645-23-6), with molecular formula C10H10N2O2 and molecular weight 190.07 g/mol. IUPAC: benzyl N-(cyanomethyl)carbamate.
Chemical Property Profile of 苄基氰甲基氨基甲酸酯
Property Insights of 苄基氰甲基氨基甲酸酯
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苄基氰甲基氨基甲酸酯. The TPSA of 62.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 苄基氰甲基氨基甲酸酯. Following Lipinski's Rule of Five, 苄基氰甲基氨基甲酸酯 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 苄基氰甲基氨基甲酸酯?
The CAS number of 苄基氰甲基氨基甲酸酯 is 40645-23-6.
What is the molecular formula of 苄基氰甲基氨基甲酸酯?
The molecular formula of 苄基氰甲基氨基甲酸酯 is C10H10N2O2.
What is the molecular weight of 苄基氰甲基氨基甲酸酯?
The molecular weight of 苄基氰甲基氨基甲酸酯 is 190.07 g/mol.
Where can I buy 苄基氰甲基氨基甲酸酯?
You can request a quote for 苄基氰甲基氨基甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苄基氰甲基氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 苄基氰甲基氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.