N-苄氧羰基甘氨酸氰甲酯
TL;DR: N-苄氧羰基甘氨酸氰甲酯 (CAS 2899-56-1) is a chemical compound with molecular formula C12H12N2O4 and molecular weight 248.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-苄氧羰基甘氨酸氰甲酯
cyanomethyl 2-(phenylmethoxycarbonylamino)acetate
Also Known As: N-Carbobenzoxyglycine cyanomethyl ester, N-Benzyloxycarbonylglycine cyanomethyl ester, Cyanomethyl N-[(benzyloxy)carbonyl]glycinate, 4-06-00-02288 (Beilstein Handbook Reference), GLYCINE, N-CARBOXY-, N-BENZYL ESTER, CYANOMETHYL ESTER
| Molecular Formula | C12H12N2O4 |
|---|---|
| Molecular Weight | 248.08 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 88.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 248.07971 |
| Heavy Atoms | 18 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 2899-56-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)NCC(=O)OCC#N |
| InChIKey | ORFYDEOVHNVUCK-UHFFFAOYSA-N |
Product Overview
N-苄氧羰基甘氨酸氰甲酯 (CAS 2899-56-1), with molecular formula C12H12N2O4 and molecular weight 248.08 g/mol. IUPAC: cyanomethyl 2-(phenylmethoxycarbonylamino)acetate.
Chemical Property Profile of N-苄氧羰基甘氨酸氰甲酯
Property Insights of N-苄氧羰基甘氨酸氰甲酯
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-苄氧羰基甘氨酸氰甲酯. The TPSA of 88.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-苄氧羰基甘氨酸氰甲酯. Following Lipinski's Rule of Five, N-苄氧羰基甘氨酸氰甲酯 has 1 hydrogen bond donor(s) and 5 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-苄氧羰基甘氨酸氰甲酯?
The CAS number of N-苄氧羰基甘氨酸氰甲酯 is 2899-56-1.
What is the molecular formula of N-苄氧羰基甘氨酸氰甲酯?
The molecular formula of N-苄氧羰基甘氨酸氰甲酯 is C12H12N2O4.
What is the molecular weight of N-苄氧羰基甘氨酸氰甲酯?
The molecular weight of N-苄氧羰基甘氨酸氰甲酯 is 248.08 g/mol.
Where can I buy N-苄氧羰基甘氨酸氰甲酯?
You can request a quote for N-苄氧羰基甘氨酸氰甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-苄氧羰基甘氨酸氰甲酯?
Yes, KEHONG BIO provides custom synthesis services for N-苄氧羰基甘氨酸氰甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.