C16H13ClN4O4S
TL;DR: C16H13ClN4O4S (CAS 16568-46-0) is a chemical compound with molecular formula C16H13ClN4O4S and molecular weight 392.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[(2-chlorophenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid
Also Known As: Benz[c]acridin-7(12H)-one,5,6-dimethyl, 4-[4-[(2-chlorophenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid, 4-(4-((2-Chlorophenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid, 4-[4-[(2-chlorophenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid, 4-[4-[(2-CHLOROPHENYL)AZO]-4,5-DIHYDRO-3-METHYL-5-OXO-1H-PYRAZOL-1-YL]BENZENESULFONIC ACID
| Molecular Formula | C16H13ClN4O4S |
|---|---|
| Molecular Weight | 392.03 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 392.0346 |
| Heavy Atoms | 26 |
| Complexity | 698.0 |
Chemical Identifiers
| CAS Number | 16568-46-0 |
|---|---|
| SMILES | CC1=NN(C(=O)C1N=NC2=CC=CC=C2Cl)C3=CC=C(C=C3)S(=O)(=O)O |
| InChIKey | UYWILNNNPUQBFM-UHFFFAOYSA-N |
Product Overview
C16H13ClN4O4S (CAS 16568-46-0), with molecular formula C16H13ClN4O4S and molecular weight 392.03 g/mol. IUPAC: 4-[4-[(2-chlorophenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid.
Chemical Property Profile of C16H13ClN4O4S
Property Insights of C16H13ClN4O4S
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C16H13ClN4O4S. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C16H13ClN4O4S. Following Lipinski's Rule of Five, C16H13ClN4O4S has 1 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 C16H13ClN4O4S?
The CAS number of C16H13ClN4O4S is 16568-46-0.
What is the molecular formula of C16H13ClN4O4S?
The molecular formula of C16H13ClN4O4S is C16H13ClN4O4S.
What is the molecular weight of C16H13ClN4O4S?
The molecular weight of C16H13ClN4O4S is 392.03 g/mol.
Where can I buy C16H13ClN4O4S?
You can request a quote for C16H13ClN4O4S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C16H13ClN4O4S?
Yes, KEHONG BIO provides custom synthesis services for C16H13ClN4O4S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.