![N-butyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3-fluorobenzamide structure](/static/products/5916/5916-87-0.webp)
N-butyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3-fluorobenzamide
TL;DR: N-butyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3-fluorobenzamide (CAS 5916-87-0) is a chemical compound with molecular formula C29H35FN2O4S and molecular weight 526.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3-fluorobenzamide
Also Known As: N-butyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3-fluorobenzamide, N-Butyl-N-(2-{[2-(3,4-dimethoxyphenyl)ethyl][(5-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-3-fluorobenzamide
| Molecular Formula | C29H35FN2O4S |
|---|---|
| Molecular Weight | 526.23 g/mol |
| LogP | 5.72662 |
| Topological Polar Surface Area | 59.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 526.23016 |
| Heavy Atoms | 37 |
| Complexity | 1196.1547 |
Chemical Identifiers
| CAS Number | 5916-87-0 |
|---|---|
| SMILES | CCCCN(CC(=O)N(CCC1=CC(=C(C=C1)OC)OC)CC2=CC=C(S2)C)C(=O)C3=CC(=CC=C3)F |
Product Overview
N-butyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3-fluorobenzamide (CAS 5916-87-0), with molecular formula C29H35FN2O4S and molecular weight 526.23 g/mol. IUPAC: N-butyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3-fluorobenzamide.
Chemical Property Profile of N-butyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3-fluorobenzamide
Property Insights of N-butyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3-fluorobenzamide
The XLogP value of 5.72662 indicates that N-butyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3-fluorobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.08 Ų, N-butyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3-fluorobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-butyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3-fluorobenzamide has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-butyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3-fluorobenzamide?
The CAS number of N-butyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3-fluorobenzamide is 5916-87-0.
What is the molecular formula of N-butyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3-fluorobenzamide?
The molecular formula of N-butyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3-fluorobenzamide is C29H35FN2O4S.
What is the molecular weight of N-butyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3-fluorobenzamide?
The molecular weight of N-butyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3-fluorobenzamide is 526.23 g/mol.
Where can I buy N-butyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3-fluorobenzamide?
You can request a quote for N-butyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3-fluorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-butyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-butyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.