![[2-methyl-3-(4-nitrophenyl)-4-oxo-chromen-7-yl] 2-phenylmethoxycarbonylaminopropanoate structure](/static/products/139/1396995-97-3.png)
[2-methyl-3-(4-nitrophenyl)-4-oxo-chromen-7-yl] 2-phenylmethoxycarbonylaminopropanoate
TL;DR: [2-methyl-3-(4-nitrophenyl)-4-oxo-chromen-7-yl] 2-phenylmethoxycarbonylaminopropanoate (CAS 1396995-97-3) is a chemical compound with molecular formula C27H22N2O8 and molecular weight 502.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-methyl-3-(4-nitrophenyl)-4-oxochromen-7-yl] 2-(phenylmethoxycarbonylamino)propanoate
Also Known As: [2-methyl-3-(4-nitrophenyl)-4-oxo-chromen-7-yl] 2-phenylmethoxycarbonylaminopropanoate, [2-methyl-3-(4-nitrophenyl)-4-oxochromen-7-yl] 2-(phenylmethoxycarbonylamino)propanoate, 2-methyl-3-(4-nitrophenyl)-4-oxo-4H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)propanoate, 2-methyl-3-(4-nitrophenyl)-4-oxo-4H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}propanoate, 2-methyl-3-(4-nitrophenyl)-4-oxo-4H-chromen-7-yl N-[(benzyloxy)carbonyl]alaninate
| Molecular Formula | C27H22N2O8 |
|---|---|
| Molecular Weight | 502.14 g/mol |
| LogP | 4.89692 |
| Topological Polar Surface Area | 137.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 502.1376 |
| Heavy Atoms | 37 |
| Complexity | 1528.3365 |
Chemical Identifiers
| CAS Number | 1396995-97-3 |
|---|---|
| SMILES | CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C(C)NC(=O)OCC3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
[2-methyl-3-(4-nitrophenyl)-4-oxo-chromen-7-yl] 2-phenylmethoxycarbonylaminopropanoate (CAS 1396995-97-3), with molecular formula C27H22N2O8 and molecular weight 502.14 g/mol. IUPAC: [2-methyl-3-(4-nitrophenyl)-4-oxochromen-7-yl] 2-(phenylmethoxycarbonylamino)propanoate.
Chemical Property Profile of [2-methyl-3-(4-nitrophenyl)-4-oxo-chromen-7-yl] 2-phenylmethoxycarbonylaminopropanoate
Property Insights of [2-methyl-3-(4-nitrophenyl)-4-oxo-chromen-7-yl] 2-phenylmethoxycarbonylaminopropanoate
The XLogP value of 4.89692 indicates that [2-methyl-3-(4-nitrophenyl)-4-oxo-chromen-7-yl] 2-phenylmethoxycarbonylaminopropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.98 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-methyl-3-(4-nitrophenyl)-4-oxo-chromen-7-yl] 2-phenylmethoxycarbonylaminopropanoate. Following Lipinski's Rule of Five, [2-methyl-3-(4-nitrophenyl)-4-oxo-chromen-7-yl] 2-phenylmethoxycarbonylaminopropanoate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [2-methyl-3-(4-nitrophenyl)-4-oxo-chromen-7-yl] 2-phenylmethoxycarbonylaminopropanoate?
The CAS number of [2-methyl-3-(4-nitrophenyl)-4-oxo-chromen-7-yl] 2-phenylmethoxycarbonylaminopropanoate is 1396995-97-3.
What is the molecular formula of [2-methyl-3-(4-nitrophenyl)-4-oxo-chromen-7-yl] 2-phenylmethoxycarbonylaminopropanoate?
The molecular formula of [2-methyl-3-(4-nitrophenyl)-4-oxo-chromen-7-yl] 2-phenylmethoxycarbonylaminopropanoate is C27H22N2O8.
What is the molecular weight of [2-methyl-3-(4-nitrophenyl)-4-oxo-chromen-7-yl] 2-phenylmethoxycarbonylaminopropanoate?
The molecular weight of [2-methyl-3-(4-nitrophenyl)-4-oxo-chromen-7-yl] 2-phenylmethoxycarbonylaminopropanoate is 502.14 g/mol.
Where can I buy [2-methyl-3-(4-nitrophenyl)-4-oxo-chromen-7-yl] 2-phenylmethoxycarbonylaminopropanoate?
You can request a quote for [2-methyl-3-(4-nitrophenyl)-4-oxo-chromen-7-yl] 2-phenylmethoxycarbonylaminopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-methyl-3-(4-nitrophenyl)-4-oxo-chromen-7-yl] 2-phenylmethoxycarbonylaminopropanoate?
Yes, KEHONG BIO provides custom synthesis services for [2-methyl-3-(4-nitrophenyl)-4-oxo-chromen-7-yl] 2-phenylmethoxycarbonylaminopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.