N-methyltropan-3-yl 2-(phenylthio)propionate
TL;DR: N-methyltropan-3-yl 2-(phenylthio)propionate (CAS 155058-80-3) is a chemical compound with molecular formula C17H23NO2S and molecular weight 305.14496 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-phenylsulfanylpropanoic acid
Also Known As: Nmt-3-ptp, N-Methyltropan-3-yl 2-(phenylthio)propionate, 3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-phenylsulfanylpropanoic acid, 8-Methyl-8-azabicyclo(3.2.1)oct-3-yl 2-(phenylthio)propanoate endo-(+-)-, Propanoic acid, 2-(phenylthio)-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, endo-(+-)-
Technical Specifications
| Molecular Formula | C17H23NO2S |
| Molecular Weight | 305.14496 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 65.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 305.14496 Da |
| Heavy Atoms | 21 |
| Complexity | 356.0 |
| SMILES | CN1C2CCC1CC(C2)CC(C(=O)O)SC3=CC=CC=C3 |
| InChIKey | LFGIXRSSSRADHA-UHFFFAOYSA-N |
Chemical Property Profile of N-methyltropan-3-yl 2-(phenylthio)propionate
Property Insights of N-methyltropan-3-yl 2-(phenylthio)propionate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-methyltropan-3-yl 2-(phenylthio)propionate. The TPSA of 65.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N-methyltropan-3-yl 2-(phenylthio)propionate. Following Lipinski's Rule of Five, N-methyltropan-3-yl 2-(phenylthio)propionate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-methyltropan-3-yl 2-(phenylthio)propionate?
The CAS number of N-methyltropan-3-yl 2-(phenylthio)propionate is 155058-80-3.
What is the molecular formula of N-methyltropan-3-yl 2-(phenylthio)propionate?
The molecular formula of N-methyltropan-3-yl 2-(phenylthio)propionate is C17H23NO2S.
What is the molecular weight of N-methyltropan-3-yl 2-(phenylthio)propionate?
The molecular weight of N-methyltropan-3-yl 2-(phenylthio)propionate is 305.14496 g/mol.
Where can I buy N-methyltropan-3-yl 2-(phenylthio)propionate?
You can request a quote for N-methyltropan-3-yl 2-(phenylthio)propionate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-methyltropan-3-yl 2-(phenylthio)propionate?
Yes, CoreyChem provides custom synthesis services for N-methyltropan-3-yl 2-(phenylthio)propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.