A2338/0098683
TL;DR: A2338/0098683 (CAS 6262-80-2) is a chemical compound with molecular formula C19H13ClN2O4S and molecular weight 400.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-2-(3-chlorophenyl)-4-[(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylidene]-5-methylpyrazol-3-one
Also Known As: A2338/0098683, (4E)-2-(3-chlorophenyl)-4-[(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one, 2-(3-chlorophenyl)-4-[(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one, (4E)-2-(3-chlorophenyl)-4-[(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylidene]-5-methylpyrazol-3-one, (4E)-1-(3-CHLOROPHENYL)-4-[(7-METHOXY-2-OXO-2H-1,3-BENZOXATHIOL-5-YL)METHYLIDENE]-3-METHYL-4,5-DIHYDRO-1H-PYRAZOL-5-ONE
| Molecular Formula | C19H13ClN2O4S |
|---|---|
| Molecular Weight | 400.03 g/mol |
| LogP | 4.3226 |
| Topological Polar Surface Area | 72.11 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 400.02844 |
| Heavy Atoms | 27 |
| Complexity | 1191.8829 |
Chemical Identifiers
| CAS Number | 6262-80-2 |
|---|---|
| SMILES | CC\1=NN(C(=O)/C1=C/C2=CC(=C3C(=C2)SC(=O)O3)OC)C4=CC(=CC=C4)Cl |
Product Overview
A2338/0098683 (CAS 6262-80-2), with molecular formula C19H13ClN2O4S and molecular weight 400.03 g/mol. IUPAC: (4E)-2-(3-chlorophenyl)-4-[(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylidene]-5-methylpyrazol-3-one.
Chemical Property Profile of A2338/0098683
Property Insights of A2338/0098683
The XLogP value of 4.3226 indicates that A2338/0098683 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.11 Ų falls within the moderate polarity range, balancing permeability and solubility for A2338/0098683. Following Lipinski's Rule of Five, A2338/0098683 has 0 hydrogen bond donor(s) and 6 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 A2338/0098683?
The CAS number of A2338/0098683 is 6262-80-2.
What is the molecular formula of A2338/0098683?
The molecular formula of A2338/0098683 is C19H13ClN2O4S.
What is the molecular weight of A2338/0098683?
The molecular weight of A2338/0098683 is 400.03 g/mol.
Where can I buy A2338/0098683?
You can request a quote for A2338/0098683 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2338/0098683?
Yes, KEHONG BIO provides custom synthesis services for A2338/0098683 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.