AN-329/42548467
TL;DR: AN-329/42548467 (CAS 791791-30-5) is a chemical compound with molecular formula C21H23FN4O3S2 and molecular weight 462.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(4-fluorophenyl)-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]prop-2-enamide
Also Known As: AN-329/42548467, F1724-0579, (2E)-3-(4-fluorophenyl)-N-({4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}carbamothioyl)prop-2-enamide, (E)-3-(4-fluorophenyl)-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]prop-2-enamide, 1-[(2E)-3-(4-fluorophenyl)prop-2-enoyl]-3-{4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}thiourea
| Molecular Formula | C21H23FN4O3S2 |
|---|---|
| Molecular Weight | 462.12 g/mol |
| LogP | 2.2882 |
| Topological Polar Surface Area | 81.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 462.11957 |
| Heavy Atoms | 31 |
| Complexity | 1062.8086 |
Chemical Identifiers
| CAS Number | 791791-30-5 |
|---|---|
| SMILES | CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=C(C=C3)F |
Product Overview
AN-329/42548467 (CAS 791791-30-5), with molecular formula C21H23FN4O3S2 and molecular weight 462.12 g/mol. IUPAC: (E)-3-(4-fluorophenyl)-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]prop-2-enamide.
Chemical Property Profile of AN-329/42548467
Property Insights of AN-329/42548467
The XLogP value of 2.2882 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-329/42548467. The TPSA of 81.75 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-329/42548467. Following Lipinski's Rule of Five, AN-329/42548467 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-329/42548467?
The CAS number of AN-329/42548467 is 791791-30-5.
What is the molecular formula of AN-329/42548467?
The molecular formula of AN-329/42548467 is C21H23FN4O3S2.
What is the molecular weight of AN-329/42548467?
The molecular weight of AN-329/42548467 is 462.12 g/mol.
Where can I buy AN-329/42548467?
You can request a quote for AN-329/42548467 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-329/42548467?
Yes, KEHONG BIO provides custom synthesis services for AN-329/42548467 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.