2-((2-Amino-2-carboxyethyl)thio)tryptophan
TL;DR: 2-((2-Amino-2-carboxyethyl)thio)tryptophan (CAS 6336-74-9) is a chemical compound with molecular formula C14H17N3O4S and molecular weight 323.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-amino-3-[2-(2-amino-2-carboxyethyl)sulfanyl-1H-indol-3-yl]propanoic acid
Also Known As: Gravitol(e), 2-((2-Amino-2-carboxyethyl)thio)tryptophan, 2-[(2-amino-2-carboxyethyl)sulfanyl]-l-tryptophan, Tryptophan, 2-((2-amino-2-carboxyethyl)thio)-, 2-[(2-Amino-2-carboxyethyl)sulfanyl]tryptophan
| Molecular Formula | C14H17N3O4S |
|---|---|
| Molecular Weight | 323.09 g/mol |
| LogP | -4.0 |
| Topological Polar Surface Area | 168.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 323.09396 |
| Heavy Atoms | 22 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 6336-74-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(N2)SCC(C(=O)O)N)C[C@@H](C(=O)O)N |
| InChIKey | MGVCAXMLCYZGFI-RGURZIINSA-N |
Product Overview
2-((2-Amino-2-carboxyethyl)thio)tryptophan (CAS 6336-74-9), with molecular formula C14H17N3O4S and molecular weight 323.09 g/mol. IUPAC: (2S)-2-amino-3-[2-(2-amino-2-carboxyethyl)sulfanyl-1H-indol-3-yl]propanoic acid.
Chemical Property Profile of 2-((2-Amino-2-carboxyethyl)thio)tryptophan
Property Insights of 2-((2-Amino-2-carboxyethyl)thio)tryptophan
The XLogP value of -4.0 indicates that 2-((2-Amino-2-carboxyethyl)thio)tryptophan is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 168.0 Ų indicates high polarity, suggesting 2-((2-Amino-2-carboxyethyl)thio)tryptophan may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-((2-Amino-2-carboxyethyl)thio)tryptophan has 5 hydrogen bond donor(s) and 7 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 2-((2-Amino-2-carboxyethyl)thio)tryptophan?
The CAS number of 2-((2-Amino-2-carboxyethyl)thio)tryptophan is 6336-74-9.
What is the molecular formula of 2-((2-Amino-2-carboxyethyl)thio)tryptophan?
The molecular formula of 2-((2-Amino-2-carboxyethyl)thio)tryptophan is C14H17N3O4S.
What is the molecular weight of 2-((2-Amino-2-carboxyethyl)thio)tryptophan?
The molecular weight of 2-((2-Amino-2-carboxyethyl)thio)tryptophan is 323.09 g/mol.
Where can I buy 2-((2-Amino-2-carboxyethyl)thio)tryptophan?
You can request a quote for 2-((2-Amino-2-carboxyethyl)thio)tryptophan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2-Amino-2-carboxyethyl)thio)tryptophan?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-Amino-2-carboxyethyl)thio)tryptophan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.