RefChem:330837
TL;DR: RefChem:330837 (CAS 85877-90-3) is a chemical compound with molecular formula C13H15N3O7S and molecular weight 357.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[[2-(methylamino)-2-oxoacetyl]sulfamoyl]anilino]-4-oxobutanoic acid
Also Known As: Butanoic acid, 4-((4-((((methylamino)oxacetyl)amino)sulfonyl)phenyl)amino)-4-oxo-, 4-((4-((((Methylamino)oxacetyl)amino)sulfonyl)phenyl)amino)-4-oxobutanoic acid, 4-[4-[[2-(methylamino)-2-oxoacetyl]sulfamoyl]anilino]-4-oxobutanoic acid, 4-(4-{[(Methylamino)(oxo)acetyl]sulfamoyl}anilino)-4-oxobutanoic acid, BUTANOIC ACID, 4-((4-((((METHYLAMINO)OXACETYL)AMINO)SULFONYL)PHENYL)AMINO)-4-OXO
| Molecular Formula | C13H15N3O7S |
|---|---|
| Molecular Weight | 357.06 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 167.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 357.06308 |
| Heavy Atoms | 24 |
| Complexity | 604.0 |
Chemical Identifiers
| CAS Number | 85877-90-3 |
|---|---|
| SMILES | CNC(=O)C(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)CCC(=O)O |
| InChIKey | JWFCTAQFMSHAPI-UHFFFAOYSA-N |
Product Overview
RefChem:330837 (CAS 85877-90-3), with molecular formula C13H15N3O7S and molecular weight 357.06 g/mol. IUPAC: 4-[4-[[2-(methylamino)-2-oxoacetyl]sulfamoyl]anilino]-4-oxobutanoic acid.
Chemical Property Profile of RefChem:330837
Property Insights of RefChem:330837
The XLogP value of -1.0 indicates that RefChem:330837 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 167.0 Ų indicates high polarity, suggesting RefChem:330837 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:330837 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 RefChem:330837?
The CAS number of RefChem:330837 is 85877-90-3.
What is the molecular formula of RefChem:330837?
The molecular formula of RefChem:330837 is C13H15N3O7S.
What is the molecular weight of RefChem:330837?
The molecular weight of RefChem:330837 is 357.06 g/mol.
Where can I buy RefChem:330837?
You can request a quote for RefChem:330837 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:330837?
Yes, KEHONG BIO provides custom synthesis services for RefChem:330837 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.