2-hydroxy-4',4-dimethoxybenzophenone
TL;DR: 2-hydroxy-4',4-dimethoxybenzophenone (CAS 6131-43-7) is a chemical compound with molecular formula C17H20Cl3N5O3S and molecular weight 479.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[2,2,2-trichloro-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylamino]ethyl]carbamate
Also Known As: 2-hydroxy-4',4-dimethoxybenzophenone, BIM-0046616.P001, ETHYL N-[2,2,2-TRICHLORO-1-[(1,5-DIMETHYL-3-OXO-2-PHENYL-PYRAZOL-4-YL)THIOCARBAMOYLAMINO]ETHYL]CARBAMATE, ethyl N-[2,2,2-trichloro-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylamino]ethyl]carbamate, Ethyl (2,2,2-trichloro-1-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl]amino}ethyl)carbamate
| Molecular Formula | C17H20Cl3N5O3S |
|---|---|
| Molecular Weight | 479.04 g/mol |
| LogP | 3.21322 |
| Topological Polar Surface Area | 89.32 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 479.03525 |
| Heavy Atoms | 29 |
| Complexity | 940.2706 |
Chemical Identifiers
| CAS Number | 6131-43-7 |
|---|---|
| SMILES | CCOC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C |
Product Overview
2-hydroxy-4',4-dimethoxybenzophenone (CAS 6131-43-7), with molecular formula C17H20Cl3N5O3S and molecular weight 479.04 g/mol. IUPAC: ethyl N-[2,2,2-trichloro-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylamino]ethyl]carbamate.
Chemical Property Profile of 2-hydroxy-4',4-dimethoxybenzophenone
Property Insights of 2-hydroxy-4',4-dimethoxybenzophenone
The XLogP value of 3.21322 indicates that 2-hydroxy-4',4-dimethoxybenzophenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-hydroxy-4',4-dimethoxybenzophenone. Following Lipinski's Rule of Five, 2-hydroxy-4',4-dimethoxybenzophenone has 3 hydrogen bond donor(s) and 4 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 2-hydroxy-4',4-dimethoxybenzophenone?
The CAS number of 2-hydroxy-4',4-dimethoxybenzophenone is 6131-43-7.
What is the molecular formula of 2-hydroxy-4',4-dimethoxybenzophenone?
The molecular formula of 2-hydroxy-4',4-dimethoxybenzophenone is C17H20Cl3N5O3S.
What is the molecular weight of 2-hydroxy-4',4-dimethoxybenzophenone?
The molecular weight of 2-hydroxy-4',4-dimethoxybenzophenone is 479.04 g/mol.
Where can I buy 2-hydroxy-4',4-dimethoxybenzophenone?
You can request a quote for 2-hydroxy-4',4-dimethoxybenzophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-hydroxy-4',4-dimethoxybenzophenone?
Yes, KEHONG BIO provides custom synthesis services for 2-hydroxy-4',4-dimethoxybenzophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.