ChemDiv1_021977
TL;DR: ChemDiv1_021977 (CAS 312936-01-9) is a chemical compound with molecular formula C27H22ClN3O3 and molecular weight 471.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]phenyl] (E)-3-(4-chlorophenyl)prop-2-enoate
Also Known As: ChemDiv1_021977, 4-{(E)-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]methyl}phenyl (2E)-3-(4-chlorophenyl)-2-propenoate, (E)-4-((E)-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino)methyl)phenyl 3-(4-chlorophenyl)acrylate, [4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]phenyl] (E)-3-(4-chlorophenyl)prop-2-enoate, 4-{(E)-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]methyl}phenyl (2E)-3-(4-chlorophenyl)prop-2-enoate
| Molecular Formula | C27H22ClN3O3 |
|---|---|
| Molecular Weight | 471.13 g/mol |
| LogP | 5.50722 |
| Topological Polar Surface Area | 65.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 471.13498 |
| Heavy Atoms | 34 |
| Complexity | 1415.2292 |
Chemical Identifiers
| CAS Number | 312936-01-9 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC=C(C=C3)OC(=O)/C=C/C4=CC=C(C=C4)Cl |
Product Overview
ChemDiv1_021977 (CAS 312936-01-9), with molecular formula C27H22ClN3O3 and molecular weight 471.13 g/mol. IUPAC: [4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]phenyl] (E)-3-(4-chlorophenyl)prop-2-enoate.
Chemical Property Profile of ChemDiv1_021977
Property Insights of ChemDiv1_021977
The XLogP value of 5.50722 indicates that ChemDiv1_021977 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.59 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_021977. Following Lipinski's Rule of Five, ChemDiv1_021977 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_021977?
The CAS number of ChemDiv1_021977 is 312936-01-9.
What is the molecular formula of ChemDiv1_021977?
The molecular formula of ChemDiv1_021977 is C27H22ClN3O3.
What is the molecular weight of ChemDiv1_021977?
The molecular weight of ChemDiv1_021977 is 471.13 g/mol.
Where can I buy ChemDiv1_021977?
You can request a quote for ChemDiv1_021977 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_021977?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_021977 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.