S-(2-carboxy-1-(1H-imidazol-4-yl) ethyl)cysteine
TL;DR: S-(2-carboxy-1-(1H-imidazol-4-yl) ethyl)cysteine (CAS 134381-43-4) is a chemical compound with molecular formula C9H13N3O4S and molecular weight 259.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-amino-2-carboxyethyl)sulfanyl-3-(1H-imidazol-5-yl)propanoic acid
Also Known As: 2-Diecys, S-(2-Carboxy-1-(1H-imidazol-4-yl) ethyl)cysteine, beta-((2-Amino-2-carboxyethyl)thio)-1H-imdiazole-4-propanoic acid, S-[2-Carboxy-1-(1H-imidazol-5-yl)ethyl]cysteine, 1H-Imidazole-5-propanoicacid,b-[(2-amino-2-carboxyethyl)thio]
| Molecular Formula | C9H13N3O4S |
|---|---|
| Molecular Weight | 259.06 g/mol |
| LogP | -3.5 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 259.06268 |
| Heavy Atoms | 17 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 134381-43-4 |
|---|---|
| SMILES | C1=C(NC=N1)C(CC(=O)O)SCC(C(=O)O)N |
| InChIKey | ABJUPPXFQYZWTK-UHFFFAOYSA-N |
Product Overview
S-(2-carboxy-1-(1H-imidazol-4-yl) ethyl)cysteine (CAS 134381-43-4), with molecular formula C9H13N3O4S and molecular weight 259.06 g/mol. IUPAC: 3-(2-amino-2-carboxyethyl)sulfanyl-3-(1H-imidazol-5-yl)propanoic acid.
Chemical Property Profile of S-(2-carboxy-1-(1H-imidazol-4-yl) ethyl)cysteine
Property Insights of S-(2-carboxy-1-(1H-imidazol-4-yl) ethyl)cysteine
The XLogP value of -3.5 indicates that S-(2-carboxy-1-(1H-imidazol-4-yl) ethyl)cysteine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 155.0 Ų indicates high polarity, suggesting S-(2-carboxy-1-(1H-imidazol-4-yl) ethyl)cysteine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, S-(2-carboxy-1-(1H-imidazol-4-yl) ethyl)cysteine has 4 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 S-(2-carboxy-1-(1H-imidazol-4-yl) ethyl)cysteine?
The CAS number of S-(2-carboxy-1-(1H-imidazol-4-yl) ethyl)cysteine is 134381-43-4.
What is the molecular formula of S-(2-carboxy-1-(1H-imidazol-4-yl) ethyl)cysteine?
The molecular formula of S-(2-carboxy-1-(1H-imidazol-4-yl) ethyl)cysteine is C9H13N3O4S.
What is the molecular weight of S-(2-carboxy-1-(1H-imidazol-4-yl) ethyl)cysteine?
The molecular weight of S-(2-carboxy-1-(1H-imidazol-4-yl) ethyl)cysteine is 259.06 g/mol.
Where can I buy S-(2-carboxy-1-(1H-imidazol-4-yl) ethyl)cysteine?
You can request a quote for S-(2-carboxy-1-(1H-imidazol-4-yl) ethyl)cysteine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(2-carboxy-1-(1H-imidazol-4-yl) ethyl)cysteine?
Yes, KEHONG BIO provides custom synthesis services for S-(2-carboxy-1-(1H-imidazol-4-yl) ethyl)cysteine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.