N-苄氧羰基甘氨酸1,2-二溴乙酯
TL;DR: N-苄氧羰基甘氨酸1,2-二溴乙酯 (CAS 64187-25-3) is a chemical compound with molecular formula C12H13Br2NO4 and molecular weight 392.92 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1,2-二溴乙酯
1,2-dibromoethyl 2-(phenylmethoxycarbonylamino)acetate
Also Known As: N-Carbobenzoxyglycine 1,2-dibromoethyl ester, Glycine, N-benzyloxycarbonyl-, 1,2-dibromoethyl ester, L-, GLYCINE, N-CARBOXY-, N-BENZYL ESTER, 1,2-DIBROMOETHYL ESTER, N-(benzyloxycarbonyl)glycine 1,2-dibromoethyl ester, 1,2-dibromoethyl 2-(phenylmethoxycarbonylamino)acetate
| Molecular Formula | C12H13Br2NO4 |
|---|---|
| Molecular Weight | 392.92 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 394.91907 |
| Heavy Atoms | 19 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 64187-25-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)NCC(=O)OC(CBr)Br |
| InChIKey | CMTVPQLIRWBCIV-UHFFFAOYSA-N |
Product Overview
N-苄氧羰基甘氨酸1,2-二溴乙酯 (CAS 64187-25-3), with molecular formula C12H13Br2NO4 and molecular weight 392.92 g/mol. IUPAC: 1,2-dibromoethyl 2-(phenylmethoxycarbonylamino)acetate.
Chemical Property Profile of N-苄氧羰基甘氨酸1,2-二溴乙酯
Property Insights of N-苄氧羰基甘氨酸1,2-二溴乙酯
The XLogP value of 3.0 indicates that N-苄氧羰基甘氨酸1,2-二溴乙酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-苄氧羰基甘氨酸1,2-二溴乙酯. Following Lipinski's Rule of Five, N-苄氧羰基甘氨酸1,2-二溴乙酯 has 1 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 N-苄氧羰基甘氨酸1,2-二溴乙酯?
The CAS number of N-苄氧羰基甘氨酸1,2-二溴乙酯 is 64187-25-3.
What is the molecular formula of N-苄氧羰基甘氨酸1,2-二溴乙酯?
The molecular formula of N-苄氧羰基甘氨酸1,2-二溴乙酯 is C12H13Br2NO4.
What is the molecular weight of N-苄氧羰基甘氨酸1,2-二溴乙酯?
The molecular weight of N-苄氧羰基甘氨酸1,2-二溴乙酯 is 392.92 g/mol.
Where can I buy N-苄氧羰基甘氨酸1,2-二溴乙酯?
You can request a quote for N-苄氧羰基甘氨酸1,2-二溴乙酯 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1,2-二溴乙酯?
Yes, KEHONG BIO provides custom synthesis services for N-苄氧羰基甘氨酸1,2-二溴乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.