N-Dichloroacetyl-5-nitrotryptophan
TL;DR: N-Dichloroacetyl-5-nitrotryptophan (CAS 94406-58-3) is a chemical compound with molecular formula C13H11Cl2N3O5 and molecular weight 359.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[(2,2-dichloroacetyl)amino]-3-(5-nitro-1H-indol-3-yl)propanoic acid
Also Known As: N-Dichloroacetyl-5-nitrotryptophan, n-(dichloroacetyl)-5-nitro-l-tryptophan, DL-Tryptophan, N-(dichloroacetyl)-5-nitro-, (2S)-2-[(2,2-dichloroacetyl)amino]-3-(5-nitro-1H-indol-3-yl)propanoic acid, N-(2,2-Dichloro-1-hydroxyethylidene)-5-nitrotryptophan
| Molecular Formula | C13H11Cl2N3O5 |
|---|---|
| Molecular Weight | 359.01 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 359.00757 |
| Heavy Atoms | 23 |
| Complexity | 485.0 |
Chemical Identifiers
| CAS Number | 94406-58-3 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])C(=CN2)C[C@@H](C(=O)O)NC(=O)C(Cl)Cl |
| InChIKey | XQWHVNIKKBWIGG-JTQLQIEISA-N |
Product Overview
N-Dichloroacetyl-5-nitrotryptophan (CAS 94406-58-3), with molecular formula C13H11Cl2N3O5 and molecular weight 359.01 g/mol. IUPAC: (2S)-2-[(2,2-dichloroacetyl)amino]-3-(5-nitro-1H-indol-3-yl)propanoic acid.
Chemical Property Profile of N-Dichloroacetyl-5-nitrotryptophan
Property Insights of N-Dichloroacetyl-5-nitrotryptophan
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Dichloroacetyl-5-nitrotryptophan. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Dichloroacetyl-5-nitrotryptophan. Following Lipinski's Rule of Five, N-Dichloroacetyl-5-nitrotryptophan has 3 hydrogen bond donor(s) and 5 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 N-Dichloroacetyl-5-nitrotryptophan?
The CAS number of N-Dichloroacetyl-5-nitrotryptophan is 94406-58-3.
What is the molecular formula of N-Dichloroacetyl-5-nitrotryptophan?
The molecular formula of N-Dichloroacetyl-5-nitrotryptophan is C13H11Cl2N3O5.
What is the molecular weight of N-Dichloroacetyl-5-nitrotryptophan?
The molecular weight of N-Dichloroacetyl-5-nitrotryptophan is 359.01 g/mol.
Where can I buy N-Dichloroacetyl-5-nitrotryptophan?
You can request a quote for N-Dichloroacetyl-5-nitrotryptophan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Dichloroacetyl-5-nitrotryptophan?
Yes, KEHONG BIO provides custom synthesis services for N-Dichloroacetyl-5-nitrotryptophan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.