![N~2~-Butyl-N~2~-(4-tert-butylbenzene-1-sulfonyl)-N-({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-cyclohexylglycinamide structure](/static/products/5947/5947-01-3.webp)
N~2~-Butyl-N~2~-(4-tert-butylbenzene-1-sulfonyl)-N-({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-cyclohexylglycinamide
TL;DR: N~2~-Butyl-N~2~-(4-tert-butylbenzene-1-sulfonyl)-N-({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-cyclohexylglycinamide (CAS 5947-01-3) is a chemical compound with molecular formula C34H46ClN3O3S and molecular weight 611.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[butyl-(4-tert-butylphenyl)sulfonylamino]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexylacetamide
Also Known As: N~2~-Butyl-N~2~-(4-tert-butylbenzene-1-sulfonyl)-N-({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-cyclohexylglycinamide, 2-[butyl-(4-tert-butylphenyl)sulfonylamino]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexylacetamide
| Molecular Formula | C34H46ClN3O3S |
|---|---|
| Molecular Weight | 611.29 g/mol |
| LogP | 7.6396 |
| Topological Polar Surface Area | 62.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 611.29486 |
| Heavy Atoms | 42 |
| Complexity | 1420.7089 |
Chemical Identifiers
| CAS Number | 5947-01-3 |
|---|---|
| SMILES | CCCCN(CC(=O)N(CC1=CC=CN1CC2=CC=CC=C2Cl)C3CCCCC3)S(=O)(=O)C4=CC=C(C=C4)C(C)(C)C |
Product Overview
N~2~-Butyl-N~2~-(4-tert-butylbenzene-1-sulfonyl)-N-({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-cyclohexylglycinamide (CAS 5947-01-3), with molecular formula C34H46ClN3O3S and molecular weight 611.29 g/mol. IUPAC: 2-[butyl-(4-tert-butylphenyl)sulfonylamino]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexylacetamide.
Chemical Property Profile of N~2~-Butyl-N~2~-(4-tert-butylbenzene-1-sulfonyl)-N-({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-cyclohexylglycinamide
Property Insights of N~2~-Butyl-N~2~-(4-tert-butylbenzene-1-sulfonyl)-N-({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-cyclohexylglycinamide
The XLogP value of 7.6396 indicates that N~2~-Butyl-N~2~-(4-tert-butylbenzene-1-sulfonyl)-N-({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-cyclohexylglycinamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.62 Ų falls within the moderate polarity range, balancing permeability and solubility for N~2~-Butyl-N~2~-(4-tert-butylbenzene-1-sulfonyl)-N-({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-cyclohexylglycinamide. Following Lipinski's Rule of Five, N~2~-Butyl-N~2~-(4-tert-butylbenzene-1-sulfonyl)-N-({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-cyclohexylglycinamide 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~-Butyl-N~2~-(4-tert-butylbenzene-1-sulfonyl)-N-({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-cyclohexylglycinamide?
The CAS number of N~2~-Butyl-N~2~-(4-tert-butylbenzene-1-sulfonyl)-N-({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-cyclohexylglycinamide is 5947-01-3.
What is the molecular formula of N~2~-Butyl-N~2~-(4-tert-butylbenzene-1-sulfonyl)-N-({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-cyclohexylglycinamide?
The molecular formula of N~2~-Butyl-N~2~-(4-tert-butylbenzene-1-sulfonyl)-N-({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-cyclohexylglycinamide is C34H46ClN3O3S.
What is the molecular weight of N~2~-Butyl-N~2~-(4-tert-butylbenzene-1-sulfonyl)-N-({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-cyclohexylglycinamide?
The molecular weight of N~2~-Butyl-N~2~-(4-tert-butylbenzene-1-sulfonyl)-N-({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-cyclohexylglycinamide is 611.29 g/mol.
Where can I buy N~2~-Butyl-N~2~-(4-tert-butylbenzene-1-sulfonyl)-N-({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-cyclohexylglycinamide?
You can request a quote for N~2~-Butyl-N~2~-(4-tert-butylbenzene-1-sulfonyl)-N-({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-cyclohexylglycinamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N~2~-Butyl-N~2~-(4-tert-butylbenzene-1-sulfonyl)-N-({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-cyclohexylglycinamide?
Yes, KEHONG BIO provides custom synthesis services for N~2~-Butyl-N~2~-(4-tert-butylbenzene-1-sulfonyl)-N-({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-cyclohexylglycinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.