AN-329/42548451
TL;DR: AN-329/42548451 (CAS 712318-80-4) is a chemical compound with molecular formula C17H20N4O3S3 and molecular weight 424.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]thiophene-2-carboxamide
Also Known As: AN-329/42548451, N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]thiophene-2-carboxamide, N-({4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}carbamothioyl)thiophene-2-carboxamide, N-[({4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl}amino)carbonothioyl]-2-thiophenecarboxamide, N-{4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl}-N'-(2-thienylcarbonyl)thiourea
| Molecular Formula | C17H20N4O3S3 |
|---|---|
| Molecular Weight | 424.07 g/mol |
| LogP | 1.811 |
| Topological Polar Surface Area | 81.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 424.06976 |
| Heavy Atoms | 27 |
| Complexity | 903.4101 |
Chemical Identifiers
| CAS Number | 712318-80-4 |
|---|---|
| SMILES | CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CS3 |
Product Overview
AN-329/42548451 (CAS 712318-80-4), with molecular formula C17H20N4O3S3 and molecular weight 424.07 g/mol. IUPAC: N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]thiophene-2-carboxamide.
Chemical Property Profile of AN-329/42548451
Property Insights of AN-329/42548451
The XLogP value of 1.811 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-329/42548451. The TPSA of 81.75 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-329/42548451. Following Lipinski's Rule of Five, AN-329/42548451 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-329/42548451?
The CAS number of AN-329/42548451 is 712318-80-4.
What is the molecular formula of AN-329/42548451?
The molecular formula of AN-329/42548451 is C17H20N4O3S3.
What is the molecular weight of AN-329/42548451?
The molecular weight of AN-329/42548451 is 424.07 g/mol.
Where can I buy AN-329/42548451?
You can request a quote for AN-329/42548451 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-329/42548451?
Yes, KEHONG BIO provides custom synthesis services for AN-329/42548451 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.