1C-049
TL;DR: 1C-049 (CAS 320424-77-9) is a chemical compound with molecular formula C17H13Cl2N3O and molecular weight 345.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3,5-dichlorophenyl)iminomethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
Also Known As: 1C-049, (4E)-4-{[(3,5-dichlorophenyl)amino]methylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, (4Z)-4-{[(3,5-dichlorophenyl)amino]methylidene}-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-one, 4-[(3,5-dichlorophenyl)iminomethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one, (4E)-4-[(3,5-dichloroanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one
| Molecular Formula | C17H13Cl2N3O |
|---|---|
| Molecular Weight | 345.04 g/mol |
| LogP | 4.53142 |
| Topological Polar Surface Area | 50.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.04358 |
| Heavy Atoms | 23 |
| Complexity | 906.5067 |
Chemical Identifiers
| CAS Number | 320424-77-9 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=CC=C2)C=NC3=CC(=CC(=C3)Cl)Cl |
Product Overview
1C-049 (CAS 320424-77-9), with molecular formula C17H13Cl2N3O and molecular weight 345.04 g/mol. IUPAC: 4-[(3,5-dichlorophenyl)iminomethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one.
Chemical Property Profile of 1C-049
Property Insights of 1C-049
The XLogP value of 4.53142 indicates that 1C-049 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.15 Ų, 1C-049 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1C-049 has 1 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 1C-049?
The CAS number of 1C-049 is 320424-77-9.
What is the molecular formula of 1C-049?
The molecular formula of 1C-049 is C17H13Cl2N3O.
What is the molecular weight of 1C-049?
The molecular weight of 1C-049 is 345.04 g/mol.
Where can I buy 1C-049?
You can request a quote for 1C-049 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1C-049?
Yes, KEHONG BIO provides custom synthesis services for 1C-049 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.