![2-amino-5-[[3-[6-(2-carboxyethenyl)-2,3-dihydroxyphenyl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid structure](/static/products/1000/100045-68-9.webp)
2-amino-5-[[3-[6-(2-carboxyethenyl)-2,3-dihydroxyphenyl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
TL;DR: 2-amino-5-[[3-[6-(2-carboxyethenyl)-2,3-dihydroxyphenyl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid (CAS 100045-68-9) is a chemical compound with molecular formula C19H23N3O10S and molecular weight 485.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-5-[[3-[6-(2-carboxyethenyl)-2,3-dihydroxyphenyl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Also Known As: 2-amino-5-[[3-[6-[(E)-2-carboxyethenyl]-2,3-dihydroxyphenyl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
| Molecular Formula | C19H23N3O10S |
|---|---|
| Molecular Weight | 485.11 g/mol |
| LogP | -3.3 |
| Topological Polar Surface Area | 262.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 13 |
| Exact Mass | 485.1104 |
| Heavy Atoms | 33 |
| Complexity | 762.0 |
Chemical Identifiers
| CAS Number | 100045-68-9 |
|---|---|
| SMILES | C1=CC(=C(C(=C1C=CC(=O)O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)O)O |
| InChIKey | ILYQAUGSZQOWCA-UHFFFAOYSA-N |
Product Overview
2-amino-5-[[3-[6-(2-carboxyethenyl)-2,3-dihydroxyphenyl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid (CAS 100045-68-9), with molecular formula C19H23N3O10S and molecular weight 485.11 g/mol. IUPAC: 2-amino-5-[[3-[6-(2-carboxyethenyl)-2,3-dihydroxyphenyl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid.
Chemical Property Profile of 2-amino-5-[[3-[6-(2-carboxyethenyl)-2,3-dihydroxyphenyl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Property Insights of 2-amino-5-[[3-[6-(2-carboxyethenyl)-2,3-dihydroxyphenyl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
The XLogP value of -3.3 indicates that 2-amino-5-[[3-[6-(2-carboxyethenyl)-2,3-dihydroxyphenyl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 262.0 Ų indicates high polarity, suggesting 2-amino-5-[[3-[6-(2-carboxyethenyl)-2,3-dihydroxyphenyl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-amino-5-[[3-[6-(2-carboxyethenyl)-2,3-dihydroxyphenyl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid has 8 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 2-amino-5-[[3-[6-(2-carboxyethenyl)-2,3-dihydroxyphenyl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid?
The CAS number of 2-amino-5-[[3-[6-(2-carboxyethenyl)-2,3-dihydroxyphenyl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid is 100045-68-9.
What is the molecular formula of 2-amino-5-[[3-[6-(2-carboxyethenyl)-2,3-dihydroxyphenyl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid?
The molecular formula of 2-amino-5-[[3-[6-(2-carboxyethenyl)-2,3-dihydroxyphenyl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid is C19H23N3O10S.
What is the molecular weight of 2-amino-5-[[3-[6-(2-carboxyethenyl)-2,3-dihydroxyphenyl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid?
The molecular weight of 2-amino-5-[[3-[6-(2-carboxyethenyl)-2,3-dihydroxyphenyl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid is 485.11 g/mol.
Where can I buy 2-amino-5-[[3-[6-(2-carboxyethenyl)-2,3-dihydroxyphenyl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid?
You can request a quote for 2-amino-5-[[3-[6-(2-carboxyethenyl)-2,3-dihydroxyphenyl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-amino-5-[[3-[6-(2-carboxyethenyl)-2,3-dihydroxyphenyl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-5-[[3-[6-(2-carboxyethenyl)-2,3-dihydroxyphenyl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.