N-(Dichloroacetyl)tryptophan
TL;DR: N-(Dichloroacetyl)tryptophan (CAS 1488-53-5) is a chemical compound with molecular formula C13H12Cl2N2O3 and molecular weight 314.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,2-dichloroacetyl)amino]-3-(1H-indol-3-yl)propanoic acid
Also Known As: N-(Dichloroacetyl)tryptophan, 2-[(2,2-dichloroacetyl)amino]-3-(1H-indol-3-yl)propanoic Acid
| Molecular Formula | C13H12Cl2N2O3 |
|---|---|
| Molecular Weight | 314.02 g/mol |
| LogP | 2.0835 |
| Topological Polar Surface Area | 82.19 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 314.0225 |
| Heavy Atoms | 20 |
| Complexity | 639.3329 |
Chemical Identifiers
| CAS Number | 1488-53-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)C(Cl)Cl |
Product Overview
N-(Dichloroacetyl)tryptophan (CAS 1488-53-5), with molecular formula C13H12Cl2N2O3 and molecular weight 314.02 g/mol. IUPAC: 2-[(2,2-dichloroacetyl)amino]-3-(1H-indol-3-yl)propanoic acid.
Chemical Property Profile of N-(Dichloroacetyl)tryptophan
Property Insights of N-(Dichloroacetyl)tryptophan
The XLogP value of 2.0835 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(Dichloroacetyl)tryptophan. The TPSA of 82.19 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(Dichloroacetyl)tryptophan. Following Lipinski's Rule of Five, N-(Dichloroacetyl)tryptophan has 3 hydrogen bond donor(s) and 2 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)tryptophan?
The CAS number of N-(Dichloroacetyl)tryptophan is 1488-53-5.
What is the molecular formula of N-(Dichloroacetyl)tryptophan?
The molecular formula of N-(Dichloroacetyl)tryptophan is C13H12Cl2N2O3.
What is the molecular weight of N-(Dichloroacetyl)tryptophan?
The molecular weight of N-(Dichloroacetyl)tryptophan is 314.02 g/mol.
Where can I buy N-(Dichloroacetyl)tryptophan?
You can request a quote for N-(Dichloroacetyl)tryptophan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(Dichloroacetyl)tryptophan?
Yes, KEHONG BIO provides custom synthesis services for N-(Dichloroacetyl)tryptophan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.