2-chloromethyl-4-nitrophenyl(N-carbobenzoxy)glycinate
TL;DR: 2-chloromethyl-4-nitrophenyl(N-carbobenzoxy)glycinate (CAS 52201-24-8) is a chemical compound with molecular formula C17H15ClN2O6 and molecular weight 378.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(chloromethyl)-4-nitrophenyl] 2-(phenylmethoxycarbonylamino)acetate
Also Known As: 2-Cmncg, 2-Chloromethyl-4-nitrophenyl(N-carbobenzoxy)glycinate, [2-(chloromethyl)-4-nitrophenyl] 2-(phenylmethoxycarbonylamino)acetate, Glycine, N-((phenylmethoxy)carbonyl)-, 2-(chloromethyl)-4-nitrophenyl ester, 2-(Chloromethyl)-4-nitrophenyl N-[(benzyloxy)carbonyl]glycinate
| Molecular Formula | C17H15ClN2O6 |
|---|---|
| Molecular Weight | 378.06 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 378.06186 |
| Heavy Atoms | 26 |
| Complexity | 492.0 |
Chemical Identifiers
| CAS Number | 52201-24-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)NCC(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])CCl |
| InChIKey | VDSZSHURQKDPNZ-UHFFFAOYSA-N |
Product Overview
2-chloromethyl-4-nitrophenyl(N-carbobenzoxy)glycinate (CAS 52201-24-8), with molecular formula C17H15ClN2O6 and molecular weight 378.06 g/mol. IUPAC: [2-(chloromethyl)-4-nitrophenyl] 2-(phenylmethoxycarbonylamino)acetate.
Chemical Property Profile of 2-chloromethyl-4-nitrophenyl(N-carbobenzoxy)glycinate
Property Insights of 2-chloromethyl-4-nitrophenyl(N-carbobenzoxy)glycinate
The XLogP value of 3.1 indicates that 2-chloromethyl-4-nitrophenyl(N-carbobenzoxy)glycinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloromethyl-4-nitrophenyl(N-carbobenzoxy)glycinate. Following Lipinski's Rule of Five, 2-chloromethyl-4-nitrophenyl(N-carbobenzoxy)glycinate has 1 hydrogen bond donor(s) and 6 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 2-chloromethyl-4-nitrophenyl(N-carbobenzoxy)glycinate?
The CAS number of 2-chloromethyl-4-nitrophenyl(N-carbobenzoxy)glycinate is 52201-24-8.
What is the molecular formula of 2-chloromethyl-4-nitrophenyl(N-carbobenzoxy)glycinate?
The molecular formula of 2-chloromethyl-4-nitrophenyl(N-carbobenzoxy)glycinate is C17H15ClN2O6.
What is the molecular weight of 2-chloromethyl-4-nitrophenyl(N-carbobenzoxy)glycinate?
The molecular weight of 2-chloromethyl-4-nitrophenyl(N-carbobenzoxy)glycinate is 378.06 g/mol.
Where can I buy 2-chloromethyl-4-nitrophenyl(N-carbobenzoxy)glycinate?
You can request a quote for 2-chloromethyl-4-nitrophenyl(N-carbobenzoxy)glycinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloromethyl-4-nitrophenyl(N-carbobenzoxy)glycinate?
Yes, KEHONG BIO provides custom synthesis services for 2-chloromethyl-4-nitrophenyl(N-carbobenzoxy)glycinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.