![ethyl O-methyl-3-nitro-N-{4-[(3-nitrophenyl)amino]-4-oxobutanoyl}tyrosinate structure](/static/products/282/282108-52-5.png)
ethyl O-methyl-3-nitro-N-{4-[(3-nitrophenyl)amino]-4-oxobutanoyl}tyrosinate
TL;DR: ethyl O-methyl-3-nitro-N-{4-[(3-nitrophenyl)amino]-4-oxobutanoyl}tyrosinate (CAS 282108-52-5) is a chemical compound with molecular formula C22H24N4O9 and molecular weight 488.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(4-methoxy-3-nitrophenyl)-2-[[4-(3-nitroanilino)-4-oxobutanoyl]amino]propanoate
Also Known As: BAS 00549598, ethyl 3-(4-methoxy-3-nitrophenyl)-2-(4-((3-nitrophenyl)amino)-4-oxobutanamido)propanoate, ethyl 3-(4-methoxy-3-nitrophenyl)-2-[[4-(3-nitroanilino)-4-oxobutanoyl]amino]propanoate, ethyl O-methyl-3-nitro-N-{4-[(3-nitrophenyl)amino]-4-oxobutanoyl}tyrosinate, ethyl 3-(4-methoxy-3-nitrophenyl)-2-{3-[N-(3-nitrophenyl)carbamoyl]propanoylam ino}propanoate
| Molecular Formula | C22H24N4O9 |
|---|---|
| Molecular Weight | 488.15 g/mol |
| LogP | 2.5209 |
| Topological Polar Surface Area | 180.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 488.15433 |
| Heavy Atoms | 35 |
| Complexity | 1119.8553 |
Chemical Identifiers
| CAS Number | 282108-52-5 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CC(=C(C=C1)OC)[N+](=O)[O-])NC(=O)CCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
ethyl O-methyl-3-nitro-N-{4-[(3-nitrophenyl)amino]-4-oxobutanoyl}tyrosinate (CAS 282108-52-5), with molecular formula C22H24N4O9 and molecular weight 488.15 g/mol. IUPAC: ethyl 3-(4-methoxy-3-nitrophenyl)-2-[[4-(3-nitroanilino)-4-oxobutanoyl]amino]propanoate.
Chemical Property Profile of ethyl O-methyl-3-nitro-N-{4-[(3-nitrophenyl)amino]-4-oxobutanoyl}tyrosinate
Property Insights of ethyl O-methyl-3-nitro-N-{4-[(3-nitrophenyl)amino]-4-oxobutanoyl}tyrosinate
The XLogP value of 2.5209 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl O-methyl-3-nitro-N-{4-[(3-nitrophenyl)amino]-4-oxobutanoyl}tyrosinate. The TPSA of 180.01 Ų indicates high polarity, suggesting ethyl O-methyl-3-nitro-N-{4-[(3-nitrophenyl)amino]-4-oxobutanoyl}tyrosinate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ethyl O-methyl-3-nitro-N-{4-[(3-nitrophenyl)amino]-4-oxobutanoyl}tyrosinate has 2 hydrogen bond donor(s) and 9 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 ethyl O-methyl-3-nitro-N-{4-[(3-nitrophenyl)amino]-4-oxobutanoyl}tyrosinate?
The CAS number of ethyl O-methyl-3-nitro-N-{4-[(3-nitrophenyl)amino]-4-oxobutanoyl}tyrosinate is 282108-52-5.
What is the molecular formula of ethyl O-methyl-3-nitro-N-{4-[(3-nitrophenyl)amino]-4-oxobutanoyl}tyrosinate?
The molecular formula of ethyl O-methyl-3-nitro-N-{4-[(3-nitrophenyl)amino]-4-oxobutanoyl}tyrosinate is C22H24N4O9.
What is the molecular weight of ethyl O-methyl-3-nitro-N-{4-[(3-nitrophenyl)amino]-4-oxobutanoyl}tyrosinate?
The molecular weight of ethyl O-methyl-3-nitro-N-{4-[(3-nitrophenyl)amino]-4-oxobutanoyl}tyrosinate is 488.15 g/mol.
Where can I buy ethyl O-methyl-3-nitro-N-{4-[(3-nitrophenyl)amino]-4-oxobutanoyl}tyrosinate?
You can request a quote for ethyl O-methyl-3-nitro-N-{4-[(3-nitrophenyl)amino]-4-oxobutanoyl}tyrosinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl O-methyl-3-nitro-N-{4-[(3-nitrophenyl)amino]-4-oxobutanoyl}tyrosinate?
Yes, KEHONG BIO provides custom synthesis services for ethyl O-methyl-3-nitro-N-{4-[(3-nitrophenyl)amino]-4-oxobutanoyl}tyrosinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.