Maybridge1_002136
TL;DR: Maybridge1_002136 (CAS 253605-53-7) is a chemical compound with molecular formula C21H22N4O6S and molecular weight 458.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]anilino]-4-oxobutanoic acid
Also Known As: Maybridge1_002136, BAS 00549525, 4-({4-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)sulfamoyl]phenyl}amino)-4-oxobutanoic acid, 4-[4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]anilino]-4-oxobutanoic acid, 3-[N-(4-{[(2,3-dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl)amino]sulfonyl}phenyl) carbamoyl]propanoic acid
| Molecular Formula | C21H22N4O6S |
|---|---|
| Molecular Weight | 458.13 g/mol |
| LogP | 2.08852 |
| Topological Polar Surface Area | 139.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 458.126 |
| Heavy Atoms | 32 |
| Complexity | 1308.8148 |
Chemical Identifiers
| CAS Number | 253605-53-7 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)NC(=O)CCC(=O)O |
Product Overview
Maybridge1_002136 (CAS 253605-53-7), with molecular formula C21H22N4O6S and molecular weight 458.13 g/mol. IUPAC: 4-[4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]anilino]-4-oxobutanoic acid.
Chemical Property Profile of Maybridge1_002136
Property Insights of Maybridge1_002136
The XLogP value of 2.08852 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Maybridge1_002136. The TPSA of 139.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Maybridge1_002136. Following Lipinski's Rule of Five, Maybridge1_002136 has 3 hydrogen bond donor(s) and 5 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 Maybridge1_002136?
The CAS number of Maybridge1_002136 is 253605-53-7.
What is the molecular formula of Maybridge1_002136?
The molecular formula of Maybridge1_002136 is C21H22N4O6S.
What is the molecular weight of Maybridge1_002136?
The molecular weight of Maybridge1_002136 is 458.13 g/mol.
Where can I buy Maybridge1_002136?
You can request a quote for Maybridge1_002136 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Maybridge1_002136?
Yes, KEHONG BIO provides custom synthesis services for Maybridge1_002136 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.