1-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-4-naphthalen-2-ylsulfonyl-1,4-diazepane
TL;DR: 1-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-4-naphthalen-2-ylsulfonyl-1,4-diazepane (CAS 6019-59-6) is a chemical compound with molecular formula C29H32N4O2S and molecular weight 500.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-4-naphthalen-2-ylsulfonyl-1,4-diazepane
Also Known As: 1-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-4-naphthalen-2-ylsulfonyl-1,4-diazepane, 1-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-4-naphthalen-2-ylsulfonyl-1,4-diazepane, 1-(5-Benzyl-6-ethyl-2-methylpyrimidin-4-yl)-4-(naphthalene-2-sulfonyl)-1,4-diazepane
| Molecular Formula | C29H32N4O2S |
|---|---|
| Molecular Weight | 500.22 g/mol |
| LogP | 4.99242 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 500.2246 |
| Heavy Atoms | 36 |
| Complexity | 1471.647 |
Chemical Identifiers
| CAS Number | 6019-59-6 |
|---|---|
| SMILES | CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)CC5=CC=CC=C5 |
Product Overview
1-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-4-naphthalen-2-ylsulfonyl-1,4-diazepane (CAS 6019-59-6), with molecular formula C29H32N4O2S and molecular weight 500.22 g/mol. IUPAC: 1-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-4-naphthalen-2-ylsulfonyl-1,4-diazepane.
Chemical Property Profile of 1-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-4-naphthalen-2-ylsulfonyl-1,4-diazepane
Property Insights of 1-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-4-naphthalen-2-ylsulfonyl-1,4-diazepane
The XLogP value of 4.99242 indicates that 1-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-4-naphthalen-2-ylsulfonyl-1,4-diazepane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-4-naphthalen-2-ylsulfonyl-1,4-diazepane. Following Lipinski's Rule of Five, 1-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-4-naphthalen-2-ylsulfonyl-1,4-diazepane 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 1-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-4-naphthalen-2-ylsulfonyl-1,4-diazepane?
The CAS number of 1-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-4-naphthalen-2-ylsulfonyl-1,4-diazepane is 6019-59-6.
What is the molecular formula of 1-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-4-naphthalen-2-ylsulfonyl-1,4-diazepane?
The molecular formula of 1-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-4-naphthalen-2-ylsulfonyl-1,4-diazepane is C29H32N4O2S.
What is the molecular weight of 1-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-4-naphthalen-2-ylsulfonyl-1,4-diazepane?
The molecular weight of 1-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-4-naphthalen-2-ylsulfonyl-1,4-diazepane is 500.22 g/mol.
Where can I buy 1-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-4-naphthalen-2-ylsulfonyl-1,4-diazepane?
You can request a quote for 1-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-4-naphthalen-2-ylsulfonyl-1,4-diazepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-4-naphthalen-2-ylsulfonyl-1,4-diazepane?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-4-naphthalen-2-ylsulfonyl-1,4-diazepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.