n-Heptylmethylsulfide
TL;DR: n-Heptylmethylsulfide (CAS 887344-24-3) is a chemical compound with molecular formula C19H24F3NO4 and molecular weight 387.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid
Also Known As: n-Heptylmethylsulfide, 1-[(TERT-BUTYL)OXYCARBONYL]-3-[4-(TRIFLUOROMETHYL)BENZYL]PIPERIDINE-3-CARBOXYLIC ACID, 4645AH, 33NA-Q07-01, 1-(tert-Butoxycarbonyl)-3-(4-(trifluoromethyl)benzyl)piperidine-3-carboxylic acid
| Molecular Formula | C19H24F3NO4 |
|---|---|
| Molecular Weight | 387.17 g/mol |
| LogP | 4.3498 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 387.16574 |
| Heavy Atoms | 27 |
| Complexity | 694.3917 |
Chemical Identifiers
| CAS Number | 887344-24-3 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCCC(C1)(CC2=CC=C(C=C2)C(F)(F)F)C(=O)O |
Product Overview
n-Heptylmethylsulfide (CAS 887344-24-3), with molecular formula C19H24F3NO4 and molecular weight 387.17 g/mol. IUPAC: 1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid.
Chemical Property Profile of n-Heptylmethylsulfide
Property Insights of n-Heptylmethylsulfide
The XLogP value of 4.3498 indicates that n-Heptylmethylsulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for n-Heptylmethylsulfide. Following Lipinski's Rule of Five, n-Heptylmethylsulfide has 1 hydrogen bond donor(s) and 3 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 n-Heptylmethylsulfide?
The CAS number of n-Heptylmethylsulfide is 887344-24-3.
What is the molecular formula of n-Heptylmethylsulfide?
The molecular formula of n-Heptylmethylsulfide is C19H24F3NO4.
What is the molecular weight of n-Heptylmethylsulfide?
The molecular weight of n-Heptylmethylsulfide is 387.17 g/mol.
Where can I buy n-Heptylmethylsulfide?
You can request a quote for n-Heptylmethylsulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-Heptylmethylsulfide?
Yes, KEHONG BIO provides custom synthesis services for n-Heptylmethylsulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.