RefChem:281985
TL;DR: RefChem:281985 (CAS 10070-95-8) is a chemical compound with molecular formula C16H22Cl3N3O and molecular weight 377.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[bis(2-chloroethyl)aminomethyl]-2,5-dimethyl-1-phenylpyrazol-3-one;hydrochloride
Also Known As: 3-Pyrazolin-5-one, 4-(bis(2-chloroethyl)aminomethyl)-2,3-dimethyl-1-phenyl-, hydrochloride, 4-(Bis(2-chloroethyl)aminomethyl)-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one hydrochloride, 4-(Bis-(2-chloraethyl)aminomethyl)-1-phenyl-2,3-dimethylpyrazolon hydrochlorid [German], 4-(Bis-(2-chloraethyl)aminomethyl)-1-phenyl-2,3-dimethylpyrazolon hydrochlorid, 4-[bis(2-chloroethyl)aminomethyl]-2,5-dimethyl-1-phenylpyrazol-3-one hydrochloride
| Molecular Formula | C16H22Cl3N3O |
|---|---|
| Molecular Weight | 377.08 g/mol |
| LogP | 3.18582 |
| Topological Polar Surface Area | 26.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 377.08286 |
| Heavy Atoms | 23 |
| Complexity | 416.0 |
Chemical Identifiers
| CAS Number | 10070-95-8 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C2=CC=CC=C2)C)CN(CCCl)CCCl.Cl |
| InChIKey | GWZOOPXJRCIWQS-UHFFFAOYSA-N |
Product Overview
RefChem:281985 (CAS 10070-95-8), with molecular formula C16H22Cl3N3O and molecular weight 377.08 g/mol. IUPAC: 4-[bis(2-chloroethyl)aminomethyl]-2,5-dimethyl-1-phenylpyrazol-3-one;hydrochloride.
Chemical Property Profile of RefChem:281985
Property Insights of RefChem:281985
The XLogP value of 3.18582 indicates that RefChem:281985 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.8 Ų, RefChem:281985 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:281985 has 1 hydrogen bond donor(s) and 3 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 RefChem:281985?
The CAS number of RefChem:281985 is 10070-95-8.
What is the molecular formula of RefChem:281985?
The molecular formula of RefChem:281985 is C16H22Cl3N3O.
What is the molecular weight of RefChem:281985?
The molecular weight of RefChem:281985 is 377.08 g/mol.
Where can I buy RefChem:281985?
You can request a quote for RefChem:281985 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:281985?
Yes, KEHONG BIO provides custom synthesis services for RefChem:281985 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.