BAS 01174151
TL;DR: BAS 01174151 (CAS 330645-65-3) is a chemical compound with molecular formula C18H30N4OS and molecular weight 350.21 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-prop-2-enylpiperazine-1-carbothioamide
Also Known As: BAS 01174151, BIM-0033684.P001, 4-{2-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]ethyl}-N-(prop-2-en-1-yl)piperazine-1-carbothioamide, 4-[2-(5,5-Dimethyl-3-oxo-cyclohex-1-enylamino)-ethyl]-piperazine-1-carbothioic acid allylamide, 4-[2-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]ethyl]-N-prop-2-enylpiperazine-1-carbothioamide
| Molecular Formula | C18H30N4OS |
|---|---|
| Molecular Weight | 350.21 g/mol |
| LogP | 1.5271 |
| Topological Polar Surface Area | 47.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 350.21402 |
| Heavy Atoms | 24 |
| Complexity | 507.14816 |
Chemical Identifiers
| CAS Number | 330645-65-3 |
|---|---|
| SMILES | CC1(CC(=CC(=O)C1)NCCN2CCN(CC2)C(=S)NCC=C)C |
Product Overview
BAS 01174151 (CAS 330645-65-3), with molecular formula C18H30N4OS and molecular weight 350.21 g/mol. IUPAC: 4-[2-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]ethyl]-N-prop-2-enylpiperazine-1-carbothioamide.
Chemical Property Profile of BAS 01174151
Property Insights of BAS 01174151
The XLogP value of 1.5271 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01174151. With a topological polar surface area (TPSA) of 47.61 Ų, BAS 01174151 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01174151 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 BAS 01174151?
The CAS number of BAS 01174151 is 330645-65-3.
What is the molecular formula of BAS 01174151?
The molecular formula of BAS 01174151 is C18H30N4OS.
What is the molecular weight of BAS 01174151?
The molecular weight of BAS 01174151 is 350.21 g/mol.
Where can I buy BAS 01174151?
You can request a quote for BAS 01174151 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01174151?
Yes, KEHONG BIO provides custom synthesis services for BAS 01174151 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.