![N-(4-chlorophenyl)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbothioamide structure](/static/products/100/100568-12-5.png)
N-(4-chlorophenyl)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbothioamide
TL;DR: N-(4-chlorophenyl)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbothioamide (CAS 100568-12-5) is a chemical compound with molecular formula C17H23ClN2S and molecular weight 322.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbothioamide
Also Known As: N-(4-chlorophenyl)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbothioamide, [(4-chlorophenyl)amino](1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)methane-1- thione, 6-Azabicyclo[3.2.1]octane-6-carbothioamide, N-(4-chlorophenyl)-1,3,3-trimethyl-, N-(4-chlorophenyl)-3,3,5-trimethyl-7-azabicyclo[3.2.1]octane-7-carbothioamide
| Molecular Formula | C17H23ClN2S |
|---|---|
| Molecular Weight | 322.13 g/mol |
| LogP | 4.9374 |
| Topological Polar Surface Area | 15.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 322.12704 |
| Heavy Atoms | 21 |
| Complexity | 554.41345 |
Chemical Identifiers
| CAS Number | 100568-12-5 |
|---|---|
| SMILES | CC1(CC2CC(C1)(CN2C(=S)NC3=CC=C(C=C3)Cl)C)C |
Product Overview
N-(4-chlorophenyl)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbothioamide (CAS 100568-12-5), with molecular formula C17H23ClN2S and molecular weight 322.13 g/mol. IUPAC: N-(4-chlorophenyl)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbothioamide.
Chemical Property Profile of N-(4-chlorophenyl)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbothioamide
Property Insights of N-(4-chlorophenyl)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbothioamide
The XLogP value of 4.9374 indicates that N-(4-chlorophenyl)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.27 Ų, N-(4-chlorophenyl)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-chlorophenyl)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbothioamide has 1 hydrogen bond donor(s) and 1 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-(4-chlorophenyl)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbothioamide?
The CAS number of N-(4-chlorophenyl)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbothioamide is 100568-12-5.
What is the molecular formula of N-(4-chlorophenyl)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbothioamide?
The molecular formula of N-(4-chlorophenyl)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbothioamide is C17H23ClN2S.
What is the molecular weight of N-(4-chlorophenyl)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbothioamide?
The molecular weight of N-(4-chlorophenyl)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbothioamide is 322.13 g/mol.
Where can I buy N-(4-chlorophenyl)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbothioamide?
You can request a quote for N-(4-chlorophenyl)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-chlorophenyl)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-chlorophenyl)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.