Butyl{1-[(4-chlorophenyl)methyl]pyrazolo[4,5-e]pyrimidin-4-yl}amine
TL;DR: Butyl{1-[(4-chlorophenyl)methyl]pyrazolo[4,5-e]pyrimidin-4-yl}amine (CAS 903192-31-4) is a chemical compound with molecular formula C16H18ClN5 and molecular weight 315.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-1-[(4-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
Also Known As: butyl{1-[(4-chlorophenyl)methyl]pyrazolo[4,5-e]pyrimidin-4-yl}amine, N-butyl-1-(4-chlorobenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, N-butyl-1-[(4-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine, N-butyl-1-[(4-chlorophenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
| Molecular Formula | C16H18ClN5 |
|---|---|
| Molecular Weight | 315.13 g/mol |
| LogP | 3.74 |
| Topological Polar Surface Area | 55.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 315.12506 |
| Heavy Atoms | 22 |
| Complexity | 750.8221 |
Chemical Identifiers
| CAS Number | 903192-31-4 |
|---|---|
| SMILES | CCCCNC1=C2C=NN(C2=NC=N1)CC3=CC=C(C=C3)Cl |
Product Overview
Butyl{1-[(4-chlorophenyl)methyl]pyrazolo[4,5-e]pyrimidin-4-yl}amine (CAS 903192-31-4), with molecular formula C16H18ClN5 and molecular weight 315.13 g/mol. IUPAC: N-butyl-1-[(4-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine.
Chemical Property Profile of Butyl{1-[(4-chlorophenyl)methyl]pyrazolo[4,5-e]pyrimidin-4-yl}amine
Property Insights of Butyl{1-[(4-chlorophenyl)methyl]pyrazolo[4,5-e]pyrimidin-4-yl}amine
The XLogP value of 3.74 indicates that Butyl{1-[(4-chlorophenyl)methyl]pyrazolo[4,5-e]pyrimidin-4-yl}amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.63 Ų, Butyl{1-[(4-chlorophenyl)methyl]pyrazolo[4,5-e]pyrimidin-4-yl}amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl{1-[(4-chlorophenyl)methyl]pyrazolo[4,5-e]pyrimidin-4-yl}amine has 1 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 Butyl{1-[(4-chlorophenyl)methyl]pyrazolo[4,5-e]pyrimidin-4-yl}amine?
The CAS number of Butyl{1-[(4-chlorophenyl)methyl]pyrazolo[4,5-e]pyrimidin-4-yl}amine is 903192-31-4.
What is the molecular formula of Butyl{1-[(4-chlorophenyl)methyl]pyrazolo[4,5-e]pyrimidin-4-yl}amine?
The molecular formula of Butyl{1-[(4-chlorophenyl)methyl]pyrazolo[4,5-e]pyrimidin-4-yl}amine is C16H18ClN5.
What is the molecular weight of Butyl{1-[(4-chlorophenyl)methyl]pyrazolo[4,5-e]pyrimidin-4-yl}amine?
The molecular weight of Butyl{1-[(4-chlorophenyl)methyl]pyrazolo[4,5-e]pyrimidin-4-yl}amine is 315.13 g/mol.
Where can I buy Butyl{1-[(4-chlorophenyl)methyl]pyrazolo[4,5-e]pyrimidin-4-yl}amine?
You can request a quote for Butyl{1-[(4-chlorophenyl)methyl]pyrazolo[4,5-e]pyrimidin-4-yl}amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl{1-[(4-chlorophenyl)methyl]pyrazolo[4,5-e]pyrimidin-4-yl}amine?
Yes, KEHONG BIO provides custom synthesis services for Butyl{1-[(4-chlorophenyl)methyl]pyrazolo[4,5-e]pyrimidin-4-yl}amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.