AP-970/42777065
TL;DR: AP-970/42777065 (CAS 708282-88-6) is a chemical compound with molecular formula C20H22N4O5S2 and molecular weight 462.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide
Also Known As: AP-970/42777065, N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide, N-({4-[4-(methylsulfonyl)piperazin-1-yl]phenyl}carbamothioyl)-1,3-benzodioxole-5-carboxamide, N-(1,3-benzodioxol-5-ylcarbonyl)-N'-{4-[4-(methylsulfonyl)-1-piperazinyl]phenyl}thiourea, N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]thiocarbamoyl]benzo[1,3]dioxole-5-carboxamide
| Molecular Formula | C20H22N4O5S2 |
|---|---|
| Molecular Weight | 462.10 g/mol |
| LogP | 1.6237 |
| Topological Polar Surface Area | 100.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 462.10315 |
| Heavy Atoms | 31 |
| Complexity | 1097.0533 |
Chemical Identifiers
| CAS Number | 708282-88-6 |
|---|---|
| SMILES | CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC4=C(C=C3)OCO4 |
Product Overview
AP-970/42777065 (CAS 708282-88-6), with molecular formula C20H22N4O5S2 and molecular weight 462.10 g/mol. IUPAC: N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide.
Chemical Property Profile of AP-970/42777065
Property Insights of AP-970/42777065
The XLogP value of 1.6237 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AP-970/42777065. The TPSA of 100.21 Ų falls within the moderate polarity range, balancing permeability and solubility for AP-970/42777065. Following Lipinski's Rule of Five, AP-970/42777065 has 2 hydrogen bond donor(s) and 7 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 AP-970/42777065?
The CAS number of AP-970/42777065 is 708282-88-6.
What is the molecular formula of AP-970/42777065?
The molecular formula of AP-970/42777065 is C20H22N4O5S2.
What is the molecular weight of AP-970/42777065?
The molecular weight of AP-970/42777065 is 462.10 g/mol.
Where can I buy AP-970/42777065?
You can request a quote for AP-970/42777065 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-970/42777065?
Yes, KEHONG BIO provides custom synthesis services for AP-970/42777065 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.