Antipyrine, 4-((bis(2-chloroethyl)amino)methyl)-, dihydrochloride
TL;DR: Antipyrine, 4-((bis(2-chloroethyl)amino)methyl)-, dihydrochloride (CAS 59902-02-2) is a chemical compound with molecular formula C16H23Cl4N3O and molecular weight 413.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[bis(2-chloroethyl)aminomethyl]-1,5-dimethyl-2-phenylpyrazol-3-one;dihydrochloride
Also Known As: Antipyrine, 4-((bis(2-chloroethyl)amino)methyl)-, dihydrochloride, 3H-Pyrazol-3-one, 1,2-dihydro-4-((bis(2-chloroethyl)amino)methyl)-1,5-dimethyl-2-phenyl-, dihydrochloride, 1,2-Dihydro-4-((bis(2-chloroethyl)amino)methyl)-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one 2HCl, 1-Phenyl-2,3-dimethyl-4-(bis(2-chloraethyl)aminomethyl)pyrazolon-(5)-dihydrochlorid [German], 1-Phenyl-2,3-dimethyl-4-(bis(2-chloraethyl)aminomethyl)pyrazolon-(5)-dihydrochlorid
| Molecular Formula | C16H23Cl4N3O |
|---|---|
| Molecular Weight | 413.06 g/mol |
| LogP | 3.60762 |
| Topological Polar Surface Area | 30.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 413.0595 |
| Heavy Atoms | 24 |
| Complexity | 663.95233 |
Chemical Identifiers
| CAS Number | 59902-02-2 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CN(CCCl)CCCl.Cl.Cl |
Product Overview
Antipyrine, 4-((bis(2-chloroethyl)amino)methyl)-, dihydrochloride (CAS 59902-02-2), with molecular formula C16H23Cl4N3O and molecular weight 413.06 g/mol. IUPAC: 4-[bis(2-chloroethyl)aminomethyl]-1,5-dimethyl-2-phenylpyrazol-3-one;dihydrochloride.
Chemical Property Profile of Antipyrine, 4-((bis(2-chloroethyl)amino)methyl)-, dihydrochloride
Property Insights of Antipyrine, 4-((bis(2-chloroethyl)amino)methyl)-, dihydrochloride
The XLogP value of 3.60762 indicates that Antipyrine, 4-((bis(2-chloroethyl)amino)methyl)-, dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.17 Ų, Antipyrine, 4-((bis(2-chloroethyl)amino)methyl)-, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Antipyrine, 4-((bis(2-chloroethyl)amino)methyl)-, dihydrochloride has 0 hydrogen bond donor(s) and 2 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 Antipyrine, 4-((bis(2-chloroethyl)amino)methyl)-, dihydrochloride?
The CAS number of Antipyrine, 4-((bis(2-chloroethyl)amino)methyl)-, dihydrochloride is 59902-02-2.
What is the molecular formula of Antipyrine, 4-((bis(2-chloroethyl)amino)methyl)-, dihydrochloride?
The molecular formula of Antipyrine, 4-((bis(2-chloroethyl)amino)methyl)-, dihydrochloride is C16H23Cl4N3O.
What is the molecular weight of Antipyrine, 4-((bis(2-chloroethyl)amino)methyl)-, dihydrochloride?
The molecular weight of Antipyrine, 4-((bis(2-chloroethyl)amino)methyl)-, dihydrochloride is 413.06 g/mol.
Where can I buy Antipyrine, 4-((bis(2-chloroethyl)amino)methyl)-, dihydrochloride?
You can request a quote for Antipyrine, 4-((bis(2-chloroethyl)amino)methyl)-, dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Antipyrine, 4-((bis(2-chloroethyl)amino)methyl)-, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Antipyrine, 4-((bis(2-chloroethyl)amino)methyl)-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.