ChemDiv1_019892
TL;DR: ChemDiv1_019892 (CAS 926020-85-1) is a chemical compound with molecular formula C18H16ClN3O and molecular weight 325.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-chlorophenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
Also Known As: ChemDiv1_019892, UPCMLD0ENAT5753100:001, BAS 00404708, 4-[(2-chlorobenzylidene)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one, J1.997.037J
| Molecular Formula | C18H16ClN3O |
|---|---|
| Molecular Weight | 325.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 35.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.09818 |
| Heavy Atoms | 23 |
| Complexity | 510.0 |
Chemical Identifiers
| CAS Number | 926020-85-1 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC=CC=C3Cl |
| InChIKey | XWIFJZBWNRFBES-UHFFFAOYSA-N |
Product Overview
ChemDiv1_019892 (CAS 926020-85-1), with molecular formula C18H16ClN3O and molecular weight 325.10 g/mol. IUPAC: 4-[(2-chlorophenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one.
Chemical Property Profile of ChemDiv1_019892
Property Insights of ChemDiv1_019892
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_019892. With a topological polar surface area (TPSA) of 35.9 Ų, ChemDiv1_019892 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_019892 has 0 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 ChemDiv1_019892?
The CAS number of ChemDiv1_019892 is 926020-85-1.
What is the molecular formula of ChemDiv1_019892?
The molecular formula of ChemDiv1_019892 is C18H16ClN3O.
What is the molecular weight of ChemDiv1_019892?
The molecular weight of ChemDiv1_019892 is 325.10 g/mol.
Where can I buy ChemDiv1_019892?
You can request a quote for ChemDiv1_019892 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_019892?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_019892 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.