AP-970/42249981
TL;DR: AP-970/42249981 (CAS 708234-12-2) is a chemical compound with molecular formula C25H25ClN4O3S and molecular weight 496.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]-3,5-dimethylbenzamide
Also Known As: AP-970/42249981, N-[[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]-3,5-dimethylbenzamide, N-({3-chloro-4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]phenyl}carbamothioyl)-3,5-dimethylbenzamide, N-{3-chloro-4-[4-(2-furoyl)-1-piperazinyl]phenyl}-N'-(3,5-dimethylbenzoyl)thiourea
| Molecular Formula | C25H25ClN4O3S |
|---|---|
| Molecular Weight | 496.13 g/mol |
| LogP | 4.63904 |
| Topological Polar Surface Area | 77.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 496.13358 |
| Heavy Atoms | 34 |
| Complexity | 1200.6537 |
Chemical Identifiers
| CAS Number | 708234-12-2 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CO4)Cl)C |
Product Overview
AP-970/42249981 (CAS 708234-12-2), with molecular formula C25H25ClN4O3S and molecular weight 496.13 g/mol. IUPAC: N-[[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]-3,5-dimethylbenzamide.
Chemical Property Profile of AP-970/42249981
Property Insights of AP-970/42249981
The XLogP value of 4.63904 indicates that AP-970/42249981 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.82 Ų falls within the moderate polarity range, balancing permeability and solubility for AP-970/42249981. Following Lipinski's Rule of Five, AP-970/42249981 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-970/42249981?
The CAS number of AP-970/42249981 is 708234-12-2.
What is the molecular formula of AP-970/42249981?
The molecular formula of AP-970/42249981 is C25H25ClN4O3S.
What is the molecular weight of AP-970/42249981?
The molecular weight of AP-970/42249981 is 496.13 g/mol.
Where can I buy AP-970/42249981?
You can request a quote for AP-970/42249981 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-970/42249981?
Yes, KEHONG BIO provides custom synthesis services for AP-970/42249981 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.