A3362/0142726
TL;DR: A3362/0142726 (CAS 695221-65-9) is a chemical compound with molecular formula C16H28N4OS and molecular weight 324.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]ethyl]-N-methylpiperazine-1-carbothioamide
Also Known As: A3362/0142726, 4-[2-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]ethyl]-N-methylpiperazine-1-carbothioamide, 4-{2-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]ethyl}-N-methylpiperazine-1-carbothioamide, 4-{2-[(5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)amino]ethyl}-N-methyl-1-piperazinecarbothioamide
| Molecular Formula | C16H28N4OS |
|---|---|
| Molecular Weight | 324.20 g/mol |
| LogP | 0.9709 |
| Topological Polar Surface Area | 47.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 324.1984 |
| Heavy Atoms | 22 |
| Complexity | 453.06216 |
Chemical Identifiers
| CAS Number | 695221-65-9 |
|---|---|
| SMILES | CC1(CC(=CC(=O)C1)NCCN2CCN(CC2)C(=S)NC)C |
Product Overview
A3362/0142726 (CAS 695221-65-9), with molecular formula C16H28N4OS and molecular weight 324.20 g/mol. IUPAC: 4-[2-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]ethyl]-N-methylpiperazine-1-carbothioamide.
Chemical Property Profile of A3362/0142726
Property Insights of A3362/0142726
The XLogP value of 0.9709 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3362/0142726. With a topological polar surface area (TPSA) of 47.61 Ų, A3362/0142726 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3362/0142726 has 2 hydrogen bond donor(s) and 4 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 A3362/0142726?
The CAS number of A3362/0142726 is 695221-65-9.
What is the molecular formula of A3362/0142726?
The molecular formula of A3362/0142726 is C16H28N4OS.
What is the molecular weight of A3362/0142726?
The molecular weight of A3362/0142726 is 324.20 g/mol.
Where can I buy A3362/0142726?
You can request a quote for A3362/0142726 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3362/0142726?
Yes, KEHONG BIO provides custom synthesis services for A3362/0142726 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.