AN-648/40840972
TL;DR: AN-648/40840972 (CAS 591212-53-2) is a chemical compound with molecular formula C19H16N4O3S and molecular weight 380.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[(Z)-indol-3-ylidenemethyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzenesulfonamide
Also Known As: AN-648/40840972, 4-[(4E)-4-(1H-indol-3-ylmethylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzenesulfonamide, 4-[4-[(Z)-indol-3-ylidenemethyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzenesulfonamide, 4-[4,5-Dihydro-4-(1H-indol-3-ylmethylene)-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonamide, 4-[4-(1H-indol-3-ylmethylene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzenesulfonamide
| Molecular Formula | C19H16N4O3S |
|---|---|
| Molecular Weight | 380.09 g/mol |
| LogP | 2.37792 |
| Topological Polar Surface Area | 110.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 380.0943 |
| Heavy Atoms | 27 |
| Complexity | 1263.0288 |
Chemical Identifiers
| CAS Number | 591212-53-2 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)N)/C=C/3\C=NC4=CC=CC=C43 |
Product Overview
AN-648/40840972 (CAS 591212-53-2), with molecular formula C19H16N4O3S and molecular weight 380.09 g/mol. IUPAC: 4-[4-[(Z)-indol-3-ylidenemethyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzenesulfonamide.
Chemical Property Profile of AN-648/40840972
Property Insights of AN-648/40840972
The XLogP value of 2.37792 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-648/40840972. The TPSA of 110.31 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-648/40840972. Following Lipinski's Rule of Five, AN-648/40840972 has 2 hydrogen bond donor(s) and 4 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 AN-648/40840972?
The CAS number of AN-648/40840972 is 591212-53-2.
What is the molecular formula of AN-648/40840972?
The molecular formula of AN-648/40840972 is C19H16N4O3S.
What is the molecular weight of AN-648/40840972?
The molecular weight of AN-648/40840972 is 380.09 g/mol.
Where can I buy AN-648/40840972?
You can request a quote for AN-648/40840972 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-648/40840972?
Yes, KEHONG BIO provides custom synthesis services for AN-648/40840972 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.