ChemDiv1_006147
TL;DR: ChemDiv1_006147 (CAS 5813-03-6) is a chemical compound with molecular formula C19H19N5O5S and molecular weight 429.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[[5-methyl-2-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]methylideneamino]ethyl]benzenesulfonamide
Also Known As: ChemDiv1_006147, BAS 02232478, AB01209643-01, 4-[2-({[(4E)-3-METHYL-1-(4-NITROPHENYL)-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-4-YLIDENE]METHYL}AMINO)ETHYL]BENZENE-1-SULFONAMIDE, 4-[2-({[3-methyl-1-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)ethyl]benzenesulfonamide
| Molecular Formula | C19H19N5O5S |
|---|---|
| Molecular Weight | 429.11 g/mol |
| LogP | 1.69122 |
| Topological Polar Surface Area | 153.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 429.1107 |
| Heavy Atoms | 30 |
| Complexity | 1256.1392 |
Chemical Identifiers
| CAS Number | 5813-03-6 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=C(C=C2)[N+](=O)[O-])C=NCCC3=CC=C(C=C3)S(=O)(=O)N |
Product Overview
ChemDiv1_006147 (CAS 5813-03-6), with molecular formula C19H19N5O5S and molecular weight 429.11 g/mol. IUPAC: 4-[2-[[5-methyl-2-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]methylideneamino]ethyl]benzenesulfonamide.
Chemical Property Profile of ChemDiv1_006147
Property Insights of ChemDiv1_006147
The XLogP value of 1.69122 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_006147. The TPSA of 153.45 Ų indicates high polarity, suggesting ChemDiv1_006147 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ChemDiv1_006147 has 2 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 ChemDiv1_006147?
The CAS number of ChemDiv1_006147 is 5813-03-6.
What is the molecular formula of ChemDiv1_006147?
The molecular formula of ChemDiv1_006147 is C19H19N5O5S.
What is the molecular weight of ChemDiv1_006147?
The molecular weight of ChemDiv1_006147 is 429.11 g/mol.
Where can I buy ChemDiv1_006147?
You can request a quote for ChemDiv1_006147 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_006147?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_006147 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.