4R-0650
TL;DR: 4R-0650 (CAS 477712-85-9) is a chemical compound with molecular formula C20H20ClN5O3 and molecular weight 413.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[5-[(2-chlorophenyl)carbamoylamino]-2-pyridinyl]-3,5-dimethylpyrazole-4-carboxylate
Also Known As: 4R-0650, ethyl 1-(5-{[(2-chloroanilino)carbonyl]amino}-2-pyridinyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate, ethyl 1-[5-[(2-chlorophenyl)carbamoylamino]pyridin-2-yl]-3,5-dimethylpyrazole-4-carboxylate, ethyl 1-(5-{[(2-chlorophenyl)carbamoyl]amino}pyridin-2-yl)-3,5-dimethyl-1H-pyrazole-4-carboxylate, ethyl1-(5-{[(2-chlorophenyl)carbamoyl]amino}pyridin-2-yl)-3,5-dimethyl-1H-pyrazole-4-carboxylate
| Molecular Formula | C20H20ClN5O3 |
|---|---|
| Molecular Weight | 413.13 g/mol |
| LogP | 4.35824 |
| Topological Polar Surface Area | 98.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 413.12546 |
| Heavy Atoms | 29 |
| Complexity | 1046.7703 |
Chemical Identifiers
| CAS Number | 477712-85-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(N=C1C)C2=NC=C(C=C2)NC(=O)NC3=CC=CC=C3Cl)C |
Product Overview
4R-0650 (CAS 477712-85-9), with molecular formula C20H20ClN5O3 and molecular weight 413.13 g/mol. IUPAC: ethyl 1-[5-[(2-chlorophenyl)carbamoylamino]-2-pyridinyl]-3,5-dimethylpyrazole-4-carboxylate.
Chemical Property Profile of 4R-0650
Property Insights of 4R-0650
The XLogP value of 4.35824 indicates that 4R-0650 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 4R-0650. Following Lipinski's Rule of Five, 4R-0650 has 2 hydrogen bond donor(s) and 5 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 4R-0650?
The CAS number of 4R-0650 is 477712-85-9.
What is the molecular formula of 4R-0650?
The molecular formula of 4R-0650 is C20H20ClN5O3.
What is the molecular weight of 4R-0650?
The molecular weight of 4R-0650 is 413.13 g/mol.
Where can I buy 4R-0650?
You can request a quote for 4R-0650 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4R-0650?
Yes, KEHONG BIO provides custom synthesis services for 4R-0650 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.