AB00090812-01
TL;DR: AB00090812-01 (CAS 5620-51-9) is a chemical compound with molecular formula C19H19N3O4S and molecular weight 385.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-(2-hydroxyethylsulfonyl)phenyl]iminomethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
Also Known As: AB00090812-01, 4-[[4-(2-hydroxyethylsulfonyl)phenyl]iminomethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one, 4-[({4-[(2-hydroxyethyl)sulfonyl]phenyl}amino)methylene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, (4E)-4-[[4-(2-hydroxyethylsulfonyl)anilino]methylidene]-5-methyl-2-phenylpyrazol-3-one, (4Z)-4-[[4-(2-hydroxyethylsulfonyl)anilino]methylidene]-5-methyl-2-phenylpyrazol-3-one
| Molecular Formula | C19H19N3O4S |
|---|---|
| Molecular Weight | 385.11 g/mol |
| LogP | 1.99062 |
| Topological Polar Surface Area | 104.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 385.10962 |
| Heavy Atoms | 27 |
| Complexity | 1112.0115 |
Chemical Identifiers
| CAS Number | 5620-51-9 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=CC=C2)C=NC3=CC=C(C=C3)S(=O)(=O)CCO |
Product Overview
AB00090812-01 (CAS 5620-51-9), with molecular formula C19H19N3O4S and molecular weight 385.11 g/mol. IUPAC: 4-[[4-(2-hydroxyethylsulfonyl)phenyl]iminomethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one.
Chemical Property Profile of AB00090812-01
Property Insights of AB00090812-01
The XLogP value of 1.99062 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00090812-01. The TPSA of 104.52 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00090812-01. Following Lipinski's Rule of Five, AB00090812-01 has 2 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 AB00090812-01?
The CAS number of AB00090812-01 is 5620-51-9.
What is the molecular formula of AB00090812-01?
The molecular formula of AB00090812-01 is C19H19N3O4S.
What is the molecular weight of AB00090812-01?
The molecular weight of AB00090812-01 is 385.11 g/mol.
Where can I buy AB00090812-01?
You can request a quote for AB00090812-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00090812-01?
Yes, KEHONG BIO provides custom synthesis services for AB00090812-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.