Malonylbis(methionyl-4-nitrophenyl ester)
TL;DR: Malonylbis(methionyl-4-nitrophenyl ester) (CAS 87498-80-4) is a chemical compound with molecular formula C25H29N4O10S2+ and molecular weight 609.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S)-1-carboxy-3-methylsulfanylpropyl]-[3-[[(1S)-1-carboxy-3-methylsulfanylpropyl]amino]-3-oxopropanoyl]-bis(4-nitrophenyl)azanium
Also Known As: Malonyl-(met-onp)2, Malonylbis(methionyl-4-nitrophenyl ester), [(1S)-1-carboxy-3-methylsulfanylpropyl]-[3-[[(1S)-1-carboxy-3-methylsulfanylpropyl]amino]-3-oxopropanoyl]-bis(4-nitrophenyl)azanium, L-Methionine, N,N'-(1,3-dioxo-1,3-propanediyl)bis-, bis(4-nitrophenyl) ester, N-[(1S)-1-Carboxy-3-(methylsulfanyl)propyl]-3-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]imino}-3-hydroxy-N,N-bis(4-nitrophenyl)propanamidium
| Molecular Formula | C25H29N4O10S2+ |
|---|---|
| Molecular Weight | 609.13 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 263.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 14 |
| Exact Mass | 609.1325 |
| Heavy Atoms | 41 |
| Complexity | 923.0 |
Chemical Identifiers
| CAS Number | 87498-80-4 |
|---|---|
| SMILES | CSCC[C@@H](C(=O)O)NC(=O)CC(=O)[N+](C1=CC=C(C=C1)[N+](=O)[O-])(C2=CC=C(C=C2)[N+](=O)[O-])[C@@H](CCSC)C(=O)O |
| InChIKey | UBHTYWNJBMNVHI-SFTDATJTSA-O |
Product Overview
Malonylbis(methionyl-4-nitrophenyl ester) (CAS 87498-80-4), with molecular formula C25H29N4O10S2+ and molecular weight 609.13 g/mol. IUPAC: [(1S)-1-carboxy-3-methylsulfanylpropyl]-[3-[[(1S)-1-carboxy-3-methylsulfanylpropyl]amino]-3-oxopropanoyl]-bis(4-nitrophenyl)azanium.
Chemical Property Profile of Malonylbis(methionyl-4-nitrophenyl ester)
Property Insights of Malonylbis(methionyl-4-nitrophenyl ester)
The XLogP value of 3.6 indicates that Malonylbis(methionyl-4-nitrophenyl ester) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 263.0 Ų indicates high polarity, suggesting Malonylbis(methionyl-4-nitrophenyl ester) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Malonylbis(methionyl-4-nitrophenyl ester) has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Malonylbis(methionyl-4-nitrophenyl ester)?
The CAS number of Malonylbis(methionyl-4-nitrophenyl ester) is 87498-80-4.
What is the molecular formula of Malonylbis(methionyl-4-nitrophenyl ester)?
The molecular formula of Malonylbis(methionyl-4-nitrophenyl ester) is C25H29N4O10S2+.
What is the molecular weight of Malonylbis(methionyl-4-nitrophenyl ester)?
The molecular weight of Malonylbis(methionyl-4-nitrophenyl ester) is 609.13 g/mol.
Where can I buy Malonylbis(methionyl-4-nitrophenyl ester)?
You can request a quote for Malonylbis(methionyl-4-nitrophenyl ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Malonylbis(methionyl-4-nitrophenyl ester)?
Yes, KEHONG BIO provides custom synthesis services for Malonylbis(methionyl-4-nitrophenyl ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.