RefChem:505804
TL;DR: RefChem:505804 (CAS 62308-14-9) is a chemical compound with molecular formula C14H14ClN5O5S and molecular weight 399.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-chloro-4-nitrophenyl)diazenyl]-2-(1,1-dioxothiolan-3-yl)-5-methyl-4H-pyrazol-3-one
Also Known As: 3H-Pyrazol-3-one, 4-((2-chloro-4-nitrophenyl)azo)-2,4-dihydro-5-methyl-2-(tetrahydro-1,1-dioxido-3-thienyl)-, 4-[(2-Chloro-4-nitrophenyl)azo]-2,4-dihydro-5-methyl-2-(tetrahydro-3-thienyl)-3H-pyrazol-3-one s,s-dioxide, 3H-Pyrazol-3-one, 4-((2-chloro-4-nitrophenyl)azo)-2,4-dihydro-5-methyl-2-(tetrahydro-3-thienyl)-, S,S-dioxide, 3H-Pyrazol-3-one, 4-(2-(2-chloro-4-nitrophenyl)diazenyl)-2,4-dihydro-5-methyl-2-(tetrahydro-1,1-dioxido-3-thienyl)-, 3H-Pyrazol-3-one, 4-[(2-chloro-4-nitrophenyl)azo]-2,4-dihydro-5-methyl-2-(tetrahydro-1,1-dioxido-3-thienyl)-
| Molecular Formula | C14H14ClN5O5S |
|---|---|
| Molecular Weight | 399.04 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 399.0404 |
| Heavy Atoms | 26 |
| Complexity | 759.0 |
Chemical Identifiers
| CAS Number | 62308-14-9 |
|---|---|
| SMILES | CC1=NN(C(=O)C1N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C3CCS(=O)(=O)C3 |
| InChIKey | FNRBXWCMRXIJBE-UHFFFAOYSA-N |
Product Overview
RefChem:505804 (CAS 62308-14-9), with molecular formula C14H14ClN5O5S and molecular weight 399.04 g/mol. IUPAC: 4-[(2-chloro-4-nitrophenyl)diazenyl]-2-(1,1-dioxothiolan-3-yl)-5-methyl-4H-pyrazol-3-one.
Chemical Property Profile of RefChem:505804
Property Insights of RefChem:505804
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:505804. The TPSA of 146.0 Ų indicates high polarity, suggesting RefChem:505804 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:505804 has 0 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:505804?
The CAS number of RefChem:505804 is 62308-14-9.
What is the molecular formula of RefChem:505804?
The molecular formula of RefChem:505804 is C14H14ClN5O5S.
What is the molecular weight of RefChem:505804?
The molecular weight of RefChem:505804 is 399.04 g/mol.
Where can I buy RefChem:505804?
You can request a quote for RefChem:505804 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:505804?
Yes, KEHONG BIO provides custom synthesis services for RefChem:505804 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.