AN-329/42548473
TL;DR: AN-329/42548473 (CAS 791791-34-9) is a chemical compound with molecular formula C22H26N4O4S2 and molecular weight 474.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(2-methoxyphenyl)-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]prop-2-enamide
Also Known As: AN-329/42548473, N-[3-(2-methoxyphenyl)acryloyl]-N'-{4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl}thiourea, (E)-3-(2-methoxyphenyl)-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]prop-2-enamide, F1724-0587, (E)-3-(2-methoxyphenyl)-N-((4-((4-methylpiperazin-1-yl)sulfonyl)phenyl)carbamothioyl)acrylamide
| Molecular Formula | C22H26N4O4S2 |
|---|---|
| Molecular Weight | 474.14 g/mol |
| LogP | 2.1577 |
| Topological Polar Surface Area | 90.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 474.13956 |
| Heavy Atoms | 32 |
| Complexity | 1093.1688 |
Chemical Identifiers
| CAS Number | 791791-34-9 |
|---|---|
| SMILES | CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=CC=C3OC |
Product Overview
AN-329/42548473 (CAS 791791-34-9), with molecular formula C22H26N4O4S2 and molecular weight 474.14 g/mol. IUPAC: (E)-3-(2-methoxyphenyl)-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]prop-2-enamide.
Chemical Property Profile of AN-329/42548473
Property Insights of AN-329/42548473
The XLogP value of 2.1577 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-329/42548473. The TPSA of 90.98 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-329/42548473. Following Lipinski's Rule of Five, AN-329/42548473 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 AN-329/42548473?
The CAS number of AN-329/42548473 is 791791-34-9.
What is the molecular formula of AN-329/42548473?
The molecular formula of AN-329/42548473 is C22H26N4O4S2.
What is the molecular weight of AN-329/42548473?
The molecular weight of AN-329/42548473 is 474.14 g/mol.
Where can I buy AN-329/42548473?
You can request a quote for AN-329/42548473 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-329/42548473?
Yes, KEHONG BIO provides custom synthesis services for AN-329/42548473 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.