H-Glu-Cys(Unk)-bAla-OH
TL;DR: H-Glu-Cys(Unk)-bAla-OH (CAS 110719-56-7) is a chemical compound with molecular formula C25H38N4O8S and molecular weight 554.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S)-4-amino-5-[[(2R)-1-(2-carboxyethylamino)-3-[2-[N-(ethoxymethyl)-2-ethyl-6-methylanilino]-2-oxoethyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Also Known As: H-Glu-Cys(Unk)-bAla-OH, (10R,13S)-13-Amino-10-{[(2-carboxyethyl)imino](hydroxy)methyl}-5-(2-ethyl-6-methylphenyl)-12-hydroxy-6-oxo-3-oxa-8-thia-5,11-diazahexadec-11-en-16-oic acid, (4S)-4-amino-5-[[(2R)-1-(2-carboxyethylamino)-3-[2-[N-(ethoxymethyl)-2-ethyl-6-methylanilino]-2-oxoethyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid, 13-Amino-10-{[(2-carboxyethyl)imino](hydroxy)methyl}-5-(2-ethyl-6-methylphenyl)-12-hydroxy-6-oxo-3-oxa-8-thia-5,11-diazahexadec-11-en-16-oic acid, beta-Alanine, N-(S-(2-((ethoxymethyl)(2-ethyl-6-methylphenyl)amino)-2- oxoethyl)-N-L-gamma-glutamyl-L-cysteinyl)-
| Molecular Formula | C25H38N4O8S |
|---|---|
| Molecular Weight | 554.24 g/mol |
| LogP | -1.7 |
| Topological Polar Surface Area | 214.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 18 |
| Exact Mass | 554.241 |
| Heavy Atoms | 38 |
| Complexity | 799.0 |
Chemical Identifiers
| CAS Number | 110719-56-7 |
|---|---|
| SMILES | CCC1=CC=CC(=C1N(COCC)C(=O)CSC[C@@H](C(=O)NCCC(=O)O)NC(=O)[C@H](CCC(=O)O)N)C |
| InChIKey | SMZWSVLGFFGHBK-OALUTQOASA-N |
Product Overview
H-Glu-Cys(Unk)-bAla-OH (CAS 110719-56-7), with molecular formula C25H38N4O8S and molecular weight 554.24 g/mol. IUPAC: (4S)-4-amino-5-[[(2R)-1-(2-carboxyethylamino)-3-[2-[N-(ethoxymethyl)-2-ethyl-6-methylanilino]-2-oxoethyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid.
Chemical Property Profile of H-Glu-Cys(Unk)-bAla-OH
Property Insights of H-Glu-Cys(Unk)-bAla-OH
The XLogP value of -1.7 indicates that H-Glu-Cys(Unk)-bAla-OH is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 214.0 Ų indicates high polarity, suggesting H-Glu-Cys(Unk)-bAla-OH may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, H-Glu-Cys(Unk)-bAla-OH has 5 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of H-Glu-Cys(Unk)-bAla-OH?
The CAS number of H-Glu-Cys(Unk)-bAla-OH is 110719-56-7.
What is the molecular formula of H-Glu-Cys(Unk)-bAla-OH?
The molecular formula of H-Glu-Cys(Unk)-bAla-OH is C25H38N4O8S.
What is the molecular weight of H-Glu-Cys(Unk)-bAla-OH?
The molecular weight of H-Glu-Cys(Unk)-bAla-OH is 554.24 g/mol.
Where can I buy H-Glu-Cys(Unk)-bAla-OH?
You can request a quote for H-Glu-Cys(Unk)-bAla-OH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for H-Glu-Cys(Unk)-bAla-OH?
Yes, KEHONG BIO provides custom synthesis services for H-Glu-Cys(Unk)-bAla-OH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.