RefChem:330838
TL;DR: RefChem:330838 (CAS 85877-87-8) is a chemical compound with molecular formula C14H17N3O7S and molecular weight 371.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[4-[methylamino(oxaldehydoyl)sulfamoyl]anilino]-4-oxobutanoate
Also Known As: Butanoic acid, 4-((4-((((methylamino)oxacetyl)amino)sulfonyl)phenyl)amino)-4-oxo-, methyl ester, 4-((4-((((Methylamino)oxacetyl)amino)sulfonyl)phenyl)amino)-4-oxobutanoic acid methyl ester, methyl 3-[[4-(methylamino-oxaldehydoyl-sulfamoyl)phenyl]carbamoyl]propanoate, methyl 4-[4-[methylamino(oxaldehydoyl)sulfamoyl]anilino]-4-oxobutanoate, Methyl 4-{4-[2-methyl-1-(oxoacetyl)hydrazine-1-sulfonyl]anilino}-4-oxobutanoate
| Molecular Formula | C14H17N3O7S |
|---|---|
| Molecular Weight | 371.08 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 371.07874 |
| Heavy Atoms | 25 |
| Complexity | 606.0 |
Chemical Identifiers
| CAS Number | 85877-87-8 |
|---|---|
| SMILES | CNN(C(=O)C=O)S(=O)(=O)C1=CC=C(C=C1)NC(=O)CCC(=O)OC |
| InChIKey | UDDQDBBRSCYMAS-UHFFFAOYSA-N |
Product Overview
RefChem:330838 (CAS 85877-87-8), with molecular formula C14H17N3O7S and molecular weight 371.08 g/mol. IUPAC: methyl 4-[4-[methylamino(oxaldehydoyl)sulfamoyl]anilino]-4-oxobutanoate.
Chemical Property Profile of RefChem:330838
Property Insights of RefChem:330838
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:330838. The TPSA of 147.0 Ų indicates high polarity, suggesting RefChem:330838 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:330838 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 RefChem:330838?
The CAS number of RefChem:330838 is 85877-87-8.
What is the molecular formula of RefChem:330838?
The molecular formula of RefChem:330838 is C14H17N3O7S.
What is the molecular weight of RefChem:330838?
The molecular weight of RefChem:330838 is 371.08 g/mol.
Where can I buy RefChem:330838?
You can request a quote for RefChem:330838 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:330838?
Yes, KEHONG BIO provides custom synthesis services for RefChem:330838 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.