![4-[Bis(2-chloroethyl)aminomethyl]-1,5-dimethyl-2-phenylpyrazol-3-one structure](/static/products/1007/10070-94-7.webp)
4-[Bis(2-chloroethyl)aminomethyl]-1,5-dimethyl-2-phenylpyrazol-3-one
TL;DR: 4-[Bis(2-chloroethyl)aminomethyl]-1,5-dimethyl-2-phenylpyrazol-3-one (CAS 10070-94-7) is a chemical compound with molecular formula C16H21Cl2N3O and molecular weight 341.11 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
Also Known As: 4-[[Bis(2-chlorethyl)amino]methyl]phenazone, 4-[bis(2-chloroethyl)aminomethyl]-1,5-dimethyl-2-phenylpyrazol-3-one, 4-[[Bis(2-chloroethyl)amino]methyl]-1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one, 4-[bis(2-chloroethyl)aminomethyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one, 4-{[bis(2-chloroethyl)amino]methyl}-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one
| Molecular Formula | C16H21Cl2N3O |
|---|---|
| Molecular Weight | 341.11 g/mol |
| LogP | 2.76402 |
| Topological Polar Surface Area | 30.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 341.10617 |
| Heavy Atoms | 22 |
| Complexity | 658.0207 |
Chemical Identifiers
| CAS Number | 10070-94-7 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CN(CCCl)CCCl |
Product Overview
4-[Bis(2-chloroethyl)aminomethyl]-1,5-dimethyl-2-phenylpyrazol-3-one (CAS 10070-94-7), with molecular formula C16H21Cl2N3O and molecular weight 341.11 g/mol. IUPAC: 4-[bis(2-chloroethyl)aminomethyl]-1,5-dimethyl-2-phenylpyrazol-3-one.
Chemical Property Profile of 4-[Bis(2-chloroethyl)aminomethyl]-1,5-dimethyl-2-phenylpyrazol-3-one
Property Insights of 4-[Bis(2-chloroethyl)aminomethyl]-1,5-dimethyl-2-phenylpyrazol-3-one
The XLogP value of 2.76402 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[Bis(2-chloroethyl)aminomethyl]-1,5-dimethyl-2-phenylpyrazol-3-one. With a topological polar surface area (TPSA) of 30.17 Ų, 4-[Bis(2-chloroethyl)aminomethyl]-1,5-dimethyl-2-phenylpyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[Bis(2-chloroethyl)aminomethyl]-1,5-dimethyl-2-phenylpyrazol-3-one 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 4-[Bis(2-chloroethyl)aminomethyl]-1,5-dimethyl-2-phenylpyrazol-3-one?
The CAS number of 4-[Bis(2-chloroethyl)aminomethyl]-1,5-dimethyl-2-phenylpyrazol-3-one is 10070-94-7.
What is the molecular formula of 4-[Bis(2-chloroethyl)aminomethyl]-1,5-dimethyl-2-phenylpyrazol-3-one?
The molecular formula of 4-[Bis(2-chloroethyl)aminomethyl]-1,5-dimethyl-2-phenylpyrazol-3-one is C16H21Cl2N3O.
What is the molecular weight of 4-[Bis(2-chloroethyl)aminomethyl]-1,5-dimethyl-2-phenylpyrazol-3-one?
The molecular weight of 4-[Bis(2-chloroethyl)aminomethyl]-1,5-dimethyl-2-phenylpyrazol-3-one is 341.11 g/mol.
Where can I buy 4-[Bis(2-chloroethyl)aminomethyl]-1,5-dimethyl-2-phenylpyrazol-3-one?
You can request a quote for 4-[Bis(2-chloroethyl)aminomethyl]-1,5-dimethyl-2-phenylpyrazol-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-[Bis(2-chloroethyl)aminomethyl]-1,5-dimethyl-2-phenylpyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-[Bis(2-chloroethyl)aminomethyl]-1,5-dimethyl-2-phenylpyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.