(4-Chlorobenzyl)(4,6-dimethylpyrimidin-2-yl)cyanamide
TL;DR: (4-Chlorobenzyl)(4,6-dimethylpyrimidin-2-yl)cyanamide (CAS 524057-40-7) is a chemical compound with molecular formula C14H13ClN4 and molecular weight 272.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl)methyl-(4,6-dimethylpyrimidin-2-yl)cyanamide
Also Known As: BAS 06107480, (4-chlorobenzyl)(4,6-dimethylpyrimidin-2-yl)cyanamide, (4-chlorophenyl)methyl-(4,6-dimethylpyrimidin-2-yl)cyanamide, N-[(4-CHLOROPHENYL)METHYL]-N-CYANO-4,6-DIMETHYLPYRIMIDIN-2-AMINE, (4-Chloro-benzyl)-(4,6-dimethyl-pyrimidin-2-yl)-cyanamide
| Molecular Formula | C14H13ClN4 |
|---|---|
| Molecular Weight | 272.08 g/mol |
| LogP | 3.23452 |
| Topological Polar Surface Area | 52.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.0829 |
| Heavy Atoms | 19 |
| Complexity | 596.0834 |
Chemical Identifiers
| CAS Number | 524057-40-7 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)N(CC2=CC=C(C=C2)Cl)C#N)C |
Product Overview
(4-Chlorobenzyl)(4,6-dimethylpyrimidin-2-yl)cyanamide (CAS 524057-40-7), with molecular formula C14H13ClN4 and molecular weight 272.08 g/mol. IUPAC: (4-chlorophenyl)methyl-(4,6-dimethylpyrimidin-2-yl)cyanamide.
Chemical Property Profile of (4-Chlorobenzyl)(4,6-dimethylpyrimidin-2-yl)cyanamide
Property Insights of (4-Chlorobenzyl)(4,6-dimethylpyrimidin-2-yl)cyanamide
The XLogP value of 3.23452 indicates that (4-Chlorobenzyl)(4,6-dimethylpyrimidin-2-yl)cyanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.81 Ų, (4-Chlorobenzyl)(4,6-dimethylpyrimidin-2-yl)cyanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Chlorobenzyl)(4,6-dimethylpyrimidin-2-yl)cyanamide has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (4-Chlorobenzyl)(4,6-dimethylpyrimidin-2-yl)cyanamide?
The CAS number of (4-Chlorobenzyl)(4,6-dimethylpyrimidin-2-yl)cyanamide is 524057-40-7.
What is the molecular formula of (4-Chlorobenzyl)(4,6-dimethylpyrimidin-2-yl)cyanamide?
The molecular formula of (4-Chlorobenzyl)(4,6-dimethylpyrimidin-2-yl)cyanamide is C14H13ClN4.
What is the molecular weight of (4-Chlorobenzyl)(4,6-dimethylpyrimidin-2-yl)cyanamide?
The molecular weight of (4-Chlorobenzyl)(4,6-dimethylpyrimidin-2-yl)cyanamide is 272.08 g/mol.
Where can I buy (4-Chlorobenzyl)(4,6-dimethylpyrimidin-2-yl)cyanamide?
You can request a quote for (4-Chlorobenzyl)(4,6-dimethylpyrimidin-2-yl)cyanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Chlorobenzyl)(4,6-dimethylpyrimidin-2-yl)cyanamide?
Yes, KEHONG BIO provides custom synthesis services for (4-Chlorobenzyl)(4,6-dimethylpyrimidin-2-yl)cyanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.