4-bromo-1-phenyl-1,2-dihydro-pyrazol-3-one
TL;DR: 4-bromo-1-phenyl-1,2-dihydro-pyrazol-3-one (CAS 7409-39-4) is a chemical compound with molecular formula C19H27Cl2N3O4 and molecular weight 431.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-acetamido-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]acetate
Also Known As: 4-bromo-1-phenyl-1,2-dihydro-pyrazol-3-one, ethyl 2-[[2-acetamido-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]acetate, Ethyl N-acetyl-4-[bis(2-chloroethyl)amino]phenylalanylglycinate
| Molecular Formula | C19H27Cl2N3O4 |
|---|---|
| Molecular Weight | 431.14 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 87.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 431.13785 |
| Heavy Atoms | 28 |
| Complexity | 494.0 |
Chemical Identifiers
| CAS Number | 7409-39-4 |
|---|---|
| SMILES | CCOC(=O)CNC(=O)C(CC1=CC=C(C=C1)N(CCCl)CCCl)NC(=O)C |
| InChIKey | WNQFFVAPIPFSJV-UHFFFAOYSA-N |
Product Overview
4-bromo-1-phenyl-1,2-dihydro-pyrazol-3-one (CAS 7409-39-4), with molecular formula C19H27Cl2N3O4 and molecular weight 431.14 g/mol. IUPAC: ethyl 2-[[2-acetamido-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]acetate.
Chemical Property Profile of 4-bromo-1-phenyl-1,2-dihydro-pyrazol-3-one
Property Insights of 4-bromo-1-phenyl-1,2-dihydro-pyrazol-3-one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-bromo-1-phenyl-1,2-dihydro-pyrazol-3-one. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-bromo-1-phenyl-1,2-dihydro-pyrazol-3-one. Following Lipinski's Rule of Five, 4-bromo-1-phenyl-1,2-dihydro-pyrazol-3-one has 2 hydrogen bond donor(s) and 5 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-bromo-1-phenyl-1,2-dihydro-pyrazol-3-one?
The CAS number of 4-bromo-1-phenyl-1,2-dihydro-pyrazol-3-one is 7409-39-4.
What is the molecular formula of 4-bromo-1-phenyl-1,2-dihydro-pyrazol-3-one?
The molecular formula of 4-bromo-1-phenyl-1,2-dihydro-pyrazol-3-one is C19H27Cl2N3O4.
What is the molecular weight of 4-bromo-1-phenyl-1,2-dihydro-pyrazol-3-one?
The molecular weight of 4-bromo-1-phenyl-1,2-dihydro-pyrazol-3-one is 431.14 g/mol.
Where can I buy 4-bromo-1-phenyl-1,2-dihydro-pyrazol-3-one?
You can request a quote for 4-bromo-1-phenyl-1,2-dihydro-pyrazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-bromo-1-phenyl-1,2-dihydro-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-bromo-1-phenyl-1,2-dihydro-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.