4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-N-(2,3-dimethylphenyl)-1,4-diazepane-1-carboxamide
TL;DR: 4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-N-(2,3-dimethylphenyl)-1,4-diazepane-1-carboxamide (CAS 6019-27-8) is a chemical compound with molecular formula C27H33N5O and molecular weight 443.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-N-(2,3-dimethylphenyl)-1,4-diazepane-1-carboxamide
Also Known As: 4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-N-(2,3-dimethylphenyl)-1,4-diazepane-1-carboxamide, 4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-N-(2,3-dimethylphenyl)-1,4-diazepane-1-carboxamide
| Molecular Formula | C27H33N5O |
|---|---|
| Molecular Weight | 443.27 g/mol |
| LogP | 5.04528 |
| Topological Polar Surface Area | 61.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 443.26852 |
| Heavy Atoms | 33 |
| Complexity | 1128.8557 |
Chemical Identifiers
| CAS Number | 6019-27-8 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)NC(=O)N2CCCN(CC2)C3=NC(=NC(=C3CC4=CC=CC=C4)C)C)C |
Product Overview
4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-N-(2,3-dimethylphenyl)-1,4-diazepane-1-carboxamide (CAS 6019-27-8), with molecular formula C27H33N5O and molecular weight 443.27 g/mol. IUPAC: 4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-N-(2,3-dimethylphenyl)-1,4-diazepane-1-carboxamide.
Chemical Property Profile of 4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-N-(2,3-dimethylphenyl)-1,4-diazepane-1-carboxamide
Property Insights of 4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-N-(2,3-dimethylphenyl)-1,4-diazepane-1-carboxamide
The XLogP value of 5.04528 indicates that 4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-N-(2,3-dimethylphenyl)-1,4-diazepane-1-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-N-(2,3-dimethylphenyl)-1,4-diazepane-1-carboxamide. Following Lipinski's Rule of Five, 4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-N-(2,3-dimethylphenyl)-1,4-diazepane-1-carboxamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-N-(2,3-dimethylphenyl)-1,4-diazepane-1-carboxamide?
The CAS number of 4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-N-(2,3-dimethylphenyl)-1,4-diazepane-1-carboxamide is 6019-27-8.
What is the molecular formula of 4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-N-(2,3-dimethylphenyl)-1,4-diazepane-1-carboxamide?
The molecular formula of 4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-N-(2,3-dimethylphenyl)-1,4-diazepane-1-carboxamide is C27H33N5O.
What is the molecular weight of 4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-N-(2,3-dimethylphenyl)-1,4-diazepane-1-carboxamide?
The molecular weight of 4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-N-(2,3-dimethylphenyl)-1,4-diazepane-1-carboxamide is 443.27 g/mol.
Where can I buy 4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-N-(2,3-dimethylphenyl)-1,4-diazepane-1-carboxamide?
You can request a quote for 4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-N-(2,3-dimethylphenyl)-1,4-diazepane-1-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-N-(2,3-dimethylphenyl)-1,4-diazepane-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-N-(2,3-dimethylphenyl)-1,4-diazepane-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.