C23H21N5O4S
TL;DR: C23H21N5O4S (CAS 68541-05-9) is a chemical compound with molecular formula C23H21N5O4S and molecular weight 463.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[[4-[bis(2-cyanoethyl)amino]phenyl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonic acid
Also Known As: Benzenesulfonic acid, 4-[4-[[4-[bis(2-cyanoethyl)amino]phenyl]methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-, 1-(4-Sulfophenyl)-3-methyl-4-(4-(bis(cyanoethyl)amino)phenylmethylene)-4,5-dihydro-5-pyrazolone, 4-[(4E)-4-[[4-(bis(2-cyanoethyl)amino)phenyl]methylidene]-3-methyl-5-oxo-pyrazol-1-yl]benzenesulfonic acid, 4-[4-[[4-[BIS(2-CYANOETHYL)AMINO]PHENYL]METHYLENE]-4,5-DIHYDRO-3-METHYL-5-OXO-1H-PYRAZOL-1-YL]BENZENESULPHONIC ACID, Benzenesulfonic acid, 4-(4-((4-(bis(2-cyanoethyl)amino)phenyl)methylene)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-
| Molecular Formula | C23H21N5O4S |
|---|---|
| Molecular Weight | 463.13 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 463.13144 |
| Heavy Atoms | 33 |
| Complexity | 961.0 |
Chemical Identifiers
| CAS Number | 68541-05-9 |
|---|---|
| SMILES | CC1=NN(C(=O)C1=CC2=CC=C(C=C2)N(CCC#N)CCC#N)C3=CC=C(C=C3)S(=O)(=O)O |
| InChIKey | JWBWZXYYSAFVDI-UHFFFAOYSA-N |
Product Overview
C23H21N5O4S (CAS 68541-05-9), with molecular formula C23H21N5O4S and molecular weight 463.13 g/mol. IUPAC: 4-[4-[[4-[bis(2-cyanoethyl)amino]phenyl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonic acid.
Chemical Property Profile of C23H21N5O4S
Property Insights of C23H21N5O4S
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C23H21N5O4S. The TPSA of 146.0 Ų indicates high polarity, suggesting C23H21N5O4S may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C23H21N5O4S has 1 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 C23H21N5O4S?
The CAS number of C23H21N5O4S is 68541-05-9.
What is the molecular formula of C23H21N5O4S?
The molecular formula of C23H21N5O4S is C23H21N5O4S.
What is the molecular weight of C23H21N5O4S?
The molecular weight of C23H21N5O4S is 463.13 g/mol.
Where can I buy C23H21N5O4S?
You can request a quote for C23H21N5O4S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C23H21N5O4S?
Yes, KEHONG BIO provides custom synthesis services for C23H21N5O4S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.