![4-Methylsulfanyl-2-[4-(morpholine-4-sulfonyl)-2-nitro-phenylamino]-butyric acid structure](/static/products/1212/1212146-22-9.webp)
4-Methylsulfanyl-2-[4-(morpholine-4-sulfonyl)-2-nitro-phenylamino]-butyric acid
TL;DR: 4-Methylsulfanyl-2-[4-(morpholine-4-sulfonyl)-2-nitro-phenylamino]-butyric acid (CAS 1212146-22-9) is a chemical compound with molecular formula C15H21N3O7S2 and molecular weight 419.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylsulfanyl-2-(4-morpholin-4-ylsulfonyl-2-nitroanilino)butanoic acid
Also Known As: 4-Methylsulfanyl-2-[4-(morpholine-4-sulfonyl)-2-nitro-phenylamino]-butyric acid, 4-(methylsulfanyl)-2-{[4-(morpholine-4-sulfonyl)-2-nitrophenyl]amino}butanoic acid, 4-(Methylthio)-2-((4-(morpholinosulfonyl)-2-nitrophenyl)amino)butanoic acid, (4-(MORPHOLINOSULFONYL)-2-NITROPHENYL)METHIONINE, 4-methylsulfanyl-2-(4-morpholin-4-ylsulfonyl-2-nitroanilino)butanoic acid
| Molecular Formula | C15H21N3O7S2 |
|---|---|
| Molecular Weight | 419.08 g/mol |
| LogP | 1.2339 |
| Topological Polar Surface Area | 139.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 419.0821 |
| Heavy Atoms | 27 |
| Complexity | 794.60034 |
Chemical Identifiers
| CAS Number | 1212146-22-9 |
|---|---|
| SMILES | CSCCC(C(=O)O)NC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)[N+](=O)[O-] |
Product Overview
4-Methylsulfanyl-2-[4-(morpholine-4-sulfonyl)-2-nitro-phenylamino]-butyric acid (CAS 1212146-22-9), with molecular formula C15H21N3O7S2 and molecular weight 419.08 g/mol. IUPAC: 4-methylsulfanyl-2-(4-morpholin-4-ylsulfonyl-2-nitroanilino)butanoic acid.
Chemical Property Profile of 4-Methylsulfanyl-2-[4-(morpholine-4-sulfonyl)-2-nitro-phenylamino]-butyric acid
Property Insights of 4-Methylsulfanyl-2-[4-(morpholine-4-sulfonyl)-2-nitro-phenylamino]-butyric acid
The XLogP value of 1.2339 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylsulfanyl-2-[4-(morpholine-4-sulfonyl)-2-nitro-phenylamino]-butyric acid. The TPSA of 139.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methylsulfanyl-2-[4-(morpholine-4-sulfonyl)-2-nitro-phenylamino]-butyric acid. Following Lipinski's Rule of Five, 4-Methylsulfanyl-2-[4-(morpholine-4-sulfonyl)-2-nitro-phenylamino]-butyric acid has 2 hydrogen bond donor(s) and 8 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 4-Methylsulfanyl-2-[4-(morpholine-4-sulfonyl)-2-nitro-phenylamino]-butyric acid?
The CAS number of 4-Methylsulfanyl-2-[4-(morpholine-4-sulfonyl)-2-nitro-phenylamino]-butyric acid is 1212146-22-9.
What is the molecular formula of 4-Methylsulfanyl-2-[4-(morpholine-4-sulfonyl)-2-nitro-phenylamino]-butyric acid?
The molecular formula of 4-Methylsulfanyl-2-[4-(morpholine-4-sulfonyl)-2-nitro-phenylamino]-butyric acid is C15H21N3O7S2.
What is the molecular weight of 4-Methylsulfanyl-2-[4-(morpholine-4-sulfonyl)-2-nitro-phenylamino]-butyric acid?
The molecular weight of 4-Methylsulfanyl-2-[4-(morpholine-4-sulfonyl)-2-nitro-phenylamino]-butyric acid is 419.08 g/mol.
Where can I buy 4-Methylsulfanyl-2-[4-(morpholine-4-sulfonyl)-2-nitro-phenylamino]-butyric acid?
You can request a quote for 4-Methylsulfanyl-2-[4-(morpholine-4-sulfonyl)-2-nitro-phenylamino]-butyric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylsulfanyl-2-[4-(morpholine-4-sulfonyl)-2-nitro-phenylamino]-butyric acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylsulfanyl-2-[4-(morpholine-4-sulfonyl)-2-nitro-phenylamino]-butyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.