AN-329/42548469
TL;DR: AN-329/42548469 (CAS 791791-32-7) is a chemical compound with molecular formula C22H26N4O3S2 and molecular weight 458.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(4-methylphenyl)-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]prop-2-enamide
Also Known As: AN-329/42548469, N-[3-(4-methylphenyl)acryloyl]-N'-{4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl}thiourea, (E)-3-(4-methylphenyl)-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]prop-2-enamide, (2E)-3-(4-methylphenyl)-N-({4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}carbamothioyl)prop-2-enamide, 2-propenamide, 3-(4-methylphenyl)-N-[[[4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]amino]thioxomethyl]-, (2E)-
| Molecular Formula | C22H26N4O3S2 |
|---|---|
| Molecular Weight | 458.14 g/mol |
| LogP | 2.45752 |
| Topological Polar Surface Area | 81.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 458.14462 |
| Heavy Atoms | 31 |
| Complexity | 1056.9398 |
Chemical Identifiers
| CAS Number | 791791-32-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C |
Product Overview
AN-329/42548469 (CAS 791791-32-7), with molecular formula C22H26N4O3S2 and molecular weight 458.14 g/mol. IUPAC: (E)-3-(4-methylphenyl)-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]prop-2-enamide.
Chemical Property Profile of AN-329/42548469
Property Insights of AN-329/42548469
The XLogP value of 2.45752 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-329/42548469. The TPSA of 81.75 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-329/42548469. Following Lipinski's Rule of Five, AN-329/42548469 has 2 hydrogen bond donor(s) and 5 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-329/42548469?
The CAS number of AN-329/42548469 is 791791-32-7.
What is the molecular formula of AN-329/42548469?
The molecular formula of AN-329/42548469 is C22H26N4O3S2.
What is the molecular weight of AN-329/42548469?
The molecular weight of AN-329/42548469 is 458.14 g/mol.
Where can I buy AN-329/42548469?
You can request a quote for AN-329/42548469 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-329/42548469?
Yes, KEHONG BIO provides custom synthesis services for AN-329/42548469 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.