A1129/0052771
TL;DR: A1129/0052771 (CAS 329200-71-7) is a chemical compound with molecular formula C19H17Cl2N3O and molecular weight 373.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-2-(3,4-dichlorophenyl)-4-[[4-(dimethylamino)phenyl]methylidene]-5-methylpyrazol-3-one
Also Known As: A1129/0052771, (4E)-2-(3,4-dichlorophenyl)-4-[[4-(dimethylamino)phenyl]methylidene]-5-methylpyrazol-3-one, (4E)-2-(3,4-dichlorophenyl)-4-[4-(dimethylamino)benzylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one, (4E)-2-(3,4-dichlorophenyl)-4-[(4-dimethylaminophenyl)methylidene]-5-methylpyrazol-3-one, (4E)-1-(3,4-DICHLOROPHENYL)-4-{[4-(DIMETHYLAMINO)PHENYL]METHYLIDENE}-3-METHYL-4,5-DIHYDRO-1H-PYRAZOL-5-ONE
| Molecular Formula | C19H17Cl2N3O |
|---|---|
| Molecular Weight | 373.07 g/mol |
| LogP | 4.8655 |
| Topological Polar Surface Area | 35.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 373.07486 |
| Heavy Atoms | 25 |
| Complexity | 886.04224 |
Chemical Identifiers
| CAS Number | 329200-71-7 |
|---|---|
| SMILES | CC\1=NN(C(=O)/C1=C/C2=CC=C(C=C2)N(C)C)C3=CC(=C(C=C3)Cl)Cl |
Product Overview
A1129/0052771 (CAS 329200-71-7), with molecular formula C19H17Cl2N3O and molecular weight 373.07 g/mol. IUPAC: (4E)-2-(3,4-dichlorophenyl)-4-[[4-(dimethylamino)phenyl]methylidene]-5-methylpyrazol-3-one.
Chemical Property Profile of A1129/0052771
Property Insights of A1129/0052771
The XLogP value of 4.8655 indicates that A1129/0052771 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.91 Ų, A1129/0052771 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A1129/0052771 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 A1129/0052771?
The CAS number of A1129/0052771 is 329200-71-7.
What is the molecular formula of A1129/0052771?
The molecular formula of A1129/0052771 is C19H17Cl2N3O.
What is the molecular weight of A1129/0052771?
The molecular weight of A1129/0052771 is 373.07 g/mol.
Where can I buy A1129/0052771?
You can request a quote for A1129/0052771 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1129/0052771?
Yes, KEHONG BIO provides custom synthesis services for A1129/0052771 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.