N,N-bis(2,4-dinitrophenyl)-L-histidine
TL;DR: N,N-bis(2,4-dinitrophenyl)-L-histidine (CAS 1655-66-9) is a chemical compound with molecular formula C18H13N7O10 and molecular weight 487.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-(N-(2,4-dinitrophenyl)-2,4-dinitroanilino)-3-(1H-imidazol-5-yl)propanoic acid
Also Known As: N,N-Bis(2,4-dinitrophenyl)-L-histidine, L-Histidine,N,N-bis(2,4-dinitrophenyl)-, Nalpha,Nalpha-Bis(2,4-dinitrophenyl)-L-histidine, (2S)-2-(N-(2,4-dinitrophenyl)-2,4-dinitroanilino)-3-(1H-imidazol-5-yl)propanoic acid, (2S)-2-[BIS(2,4-DINITROPHENYL)AMINO]-3-(1H-IMIDAZOL-4-YL)PROPANOIC ACID
| Molecular Formula | C18H13N7O10 |
|---|---|
| Molecular Weight | 487.07 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 253.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 487.0724 |
| Heavy Atoms | 35 |
| Complexity | 787.0 |
Chemical Identifiers
| CAS Number | 1655-66-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N(C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[C@@H](CC3=CN=CN3)C(=O)O |
| InChIKey | DYPVFKXVTXSSTH-KRWDZBQOSA-N |
Product Overview
N,N-bis(2,4-dinitrophenyl)-L-histidine (CAS 1655-66-9), with molecular formula C18H13N7O10 and molecular weight 487.07 g/mol. IUPAC: (2S)-2-(N-(2,4-dinitrophenyl)-2,4-dinitroanilino)-3-(1H-imidazol-5-yl)propanoic acid.
Chemical Property Profile of N,N-bis(2,4-dinitrophenyl)-L-histidine
Property Insights of N,N-bis(2,4-dinitrophenyl)-L-histidine
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-bis(2,4-dinitrophenyl)-L-histidine. The TPSA of 253.0 Ų indicates high polarity, suggesting N,N-bis(2,4-dinitrophenyl)-L-histidine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N,N-bis(2,4-dinitrophenyl)-L-histidine has 2 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 N,N-bis(2,4-dinitrophenyl)-L-histidine?
The CAS number of N,N-bis(2,4-dinitrophenyl)-L-histidine is 1655-66-9.
What is the molecular formula of N,N-bis(2,4-dinitrophenyl)-L-histidine?
The molecular formula of N,N-bis(2,4-dinitrophenyl)-L-histidine is C18H13N7O10.
What is the molecular weight of N,N-bis(2,4-dinitrophenyl)-L-histidine?
The molecular weight of N,N-bis(2,4-dinitrophenyl)-L-histidine is 487.07 g/mol.
Where can I buy N,N-bis(2,4-dinitrophenyl)-L-histidine?
You can request a quote for N,N-bis(2,4-dinitrophenyl)-L-histidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-bis(2,4-dinitrophenyl)-L-histidine?
Yes, KEHONG BIO provides custom synthesis services for N,N-bis(2,4-dinitrophenyl)-L-histidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.