![N-{2-[({1-[(4-Bromophenyl)methyl]-1H-pyrrol-2-yl}methyl)(cyclohexyl)amino]-2-oxoethyl}-3-fluoro-N-(3-methoxypropyl)benzamide structure](/static/products/5951/5951-89-3.webp)
N-{2-[({1-[(4-Bromophenyl)methyl]-1H-pyrrol-2-yl}methyl)(cyclohexyl)amino]-2-oxoethyl}-3-fluoro-N-(3-methoxypropyl)benzamide
TL;DR: N-{2-[({1-[(4-Bromophenyl)methyl]-1H-pyrrol-2-yl}methyl)(cyclohexyl)amino]-2-oxoethyl}-3-fluoro-N-(3-methoxypropyl)benzamide (CAS 5951-89-3) is a chemical compound with molecular formula C31H37BrFN3O3 and molecular weight 597.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-cyclohexylamino]-2-oxoethyl]-3-fluoro-N-(3-methoxypropyl)benzamide
Also Known As: N-{2-[({1-[(4-Bromophenyl)methyl]-1H-pyrrol-2-yl}methyl)(cyclohexyl)amino]-2-oxoethyl}-3-fluoro-N-(3-methoxypropyl)benzamide, N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-cyclohexylamino]-2-oxoethyl]-3-fluoro-N-(3-methoxypropyl)benzamide
| Molecular Formula | C31H37BrFN3O3 |
|---|---|
| Molecular Weight | 597.20 g/mol |
| LogP | 6.2782 |
| Topological Polar Surface Area | 54.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 597.20026 |
| Heavy Atoms | 39 |
| Complexity | 1223.8269 |
Chemical Identifiers
| CAS Number | 5951-89-3 |
|---|---|
| SMILES | COCCCN(CC(=O)N(CC1=CC=CN1CC2=CC=C(C=C2)Br)C3CCCCC3)C(=O)C4=CC(=CC=C4)F |
Product Overview
N-{2-[({1-[(4-Bromophenyl)methyl]-1H-pyrrol-2-yl}methyl)(cyclohexyl)amino]-2-oxoethyl}-3-fluoro-N-(3-methoxypropyl)benzamide (CAS 5951-89-3), with molecular formula C31H37BrFN3O3 and molecular weight 597.20 g/mol. IUPAC: N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-cyclohexylamino]-2-oxoethyl]-3-fluoro-N-(3-methoxypropyl)benzamide.
Chemical Property Profile of N-{2-[({1-[(4-Bromophenyl)methyl]-1H-pyrrol-2-yl}methyl)(cyclohexyl)amino]-2-oxoethyl}-3-fluoro-N-(3-methoxypropyl)benzamide
Property Insights of N-{2-[({1-[(4-Bromophenyl)methyl]-1H-pyrrol-2-yl}methyl)(cyclohexyl)amino]-2-oxoethyl}-3-fluoro-N-(3-methoxypropyl)benzamide
The XLogP value of 6.2782 indicates that N-{2-[({1-[(4-Bromophenyl)methyl]-1H-pyrrol-2-yl}methyl)(cyclohexyl)amino]-2-oxoethyl}-3-fluoro-N-(3-methoxypropyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.78 Ų, N-{2-[({1-[(4-Bromophenyl)methyl]-1H-pyrrol-2-yl}methyl)(cyclohexyl)amino]-2-oxoethyl}-3-fluoro-N-(3-methoxypropyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-{2-[({1-[(4-Bromophenyl)methyl]-1H-pyrrol-2-yl}methyl)(cyclohexyl)amino]-2-oxoethyl}-3-fluoro-N-(3-methoxypropyl)benzamide has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-{2-[({1-[(4-Bromophenyl)methyl]-1H-pyrrol-2-yl}methyl)(cyclohexyl)amino]-2-oxoethyl}-3-fluoro-N-(3-methoxypropyl)benzamide?
The CAS number of N-{2-[({1-[(4-Bromophenyl)methyl]-1H-pyrrol-2-yl}methyl)(cyclohexyl)amino]-2-oxoethyl}-3-fluoro-N-(3-methoxypropyl)benzamide is 5951-89-3.
What is the molecular formula of N-{2-[({1-[(4-Bromophenyl)methyl]-1H-pyrrol-2-yl}methyl)(cyclohexyl)amino]-2-oxoethyl}-3-fluoro-N-(3-methoxypropyl)benzamide?
The molecular formula of N-{2-[({1-[(4-Bromophenyl)methyl]-1H-pyrrol-2-yl}methyl)(cyclohexyl)amino]-2-oxoethyl}-3-fluoro-N-(3-methoxypropyl)benzamide is C31H37BrFN3O3.
What is the molecular weight of N-{2-[({1-[(4-Bromophenyl)methyl]-1H-pyrrol-2-yl}methyl)(cyclohexyl)amino]-2-oxoethyl}-3-fluoro-N-(3-methoxypropyl)benzamide?
The molecular weight of N-{2-[({1-[(4-Bromophenyl)methyl]-1H-pyrrol-2-yl}methyl)(cyclohexyl)amino]-2-oxoethyl}-3-fluoro-N-(3-methoxypropyl)benzamide is 597.20 g/mol.
Where can I buy N-{2-[({1-[(4-Bromophenyl)methyl]-1H-pyrrol-2-yl}methyl)(cyclohexyl)amino]-2-oxoethyl}-3-fluoro-N-(3-methoxypropyl)benzamide?
You can request a quote for N-{2-[({1-[(4-Bromophenyl)methyl]-1H-pyrrol-2-yl}methyl)(cyclohexyl)amino]-2-oxoethyl}-3-fluoro-N-(3-methoxypropyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{2-[({1-[(4-Bromophenyl)methyl]-1H-pyrrol-2-yl}methyl)(cyclohexyl)amino]-2-oxoethyl}-3-fluoro-N-(3-methoxypropyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-{2-[({1-[(4-Bromophenyl)methyl]-1H-pyrrol-2-yl}methyl)(cyclohexyl)amino]-2-oxoethyl}-3-fluoro-N-(3-methoxypropyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.