AP-970/42777295
TL;DR: AP-970/42777295 (CAS 708992-27-2) is a chemical compound with molecular formula C20H23ClN4O2S2 and molecular weight 450.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]butanamide
Also Known As: AP-970/42777295, N-[[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]butanamide, N-({3-chloro-4-[4-(thiophen-2-ylcarbonyl)piperazin-1-yl]phenyl}carbamothioyl)butanamide, N-butyryl-N'-{3-chloro-4-[4-(2-thienylcarbonyl)-1-piperazinyl]phenyl}thiourea
| Molecular Formula | C20H23ClN4O2S2 |
|---|---|
| Molecular Weight | 450.10 g/mol |
| LogP | 3.977 |
| Topological Polar Surface Area | 64.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 450.0951 |
| Heavy Atoms | 29 |
| Complexity | 880.61127 |
Chemical Identifiers
| CAS Number | 708992-27-2 |
|---|---|
| SMILES | CCCC(=O)NC(=S)NC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CS3)Cl |
Product Overview
AP-970/42777295 (CAS 708992-27-2), with molecular formula C20H23ClN4O2S2 and molecular weight 450.10 g/mol. IUPAC: N-[[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]butanamide.
Chemical Property Profile of AP-970/42777295
Property Insights of AP-970/42777295
The XLogP value of 3.977 indicates that AP-970/42777295 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.68 Ų falls within the moderate polarity range, balancing permeability and solubility for AP-970/42777295. Following Lipinski's Rule of Five, AP-970/42777295 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 AP-970/42777295?
The CAS number of AP-970/42777295 is 708992-27-2.
What is the molecular formula of AP-970/42777295?
The molecular formula of AP-970/42777295 is C20H23ClN4O2S2.
What is the molecular weight of AP-970/42777295?
The molecular weight of AP-970/42777295 is 450.10 g/mol.
Where can I buy AP-970/42777295?
You can request a quote for AP-970/42777295 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-970/42777295?
Yes, KEHONG BIO provides custom synthesis services for AP-970/42777295 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.