1R-0040
TL;DR: 1R-0040 (CAS 477870-40-9) is a chemical compound with molecular formula C24H19Cl2N3O5 and molecular weight 499.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[4-(dimethoxymethyl)pyrimidin-2-yl]phenyl] 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
Also Known As: 1R-0040, 4-[4-(dimethoxymethyl)-2-pyrimidinyl]phenyl 3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxylate, [4-[4-(dimethoxymethyl)pyrimidin-2-yl]phenyl] 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate, 4-[4-(dimethoxymethyl)pyrimidin-2-yl]phenyl 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate, 4-[4-(dimethoxymethyl)pyrimidin-2-yl]phenyl3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
| Molecular Formula | C24H19Cl2N3O5 |
|---|---|
| Molecular Weight | 499.07 g/mol |
| LogP | 5.92442 |
| Topological Polar Surface Area | 96.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 499.0702 |
| Heavy Atoms | 34 |
| Complexity | 1300.4454 |
Chemical Identifiers
| CAS Number | 477870-40-9 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)OC3=CC=C(C=C3)C4=NC=CC(=N4)C(OC)OC |
Product Overview
1R-0040 (CAS 477870-40-9), with molecular formula C24H19Cl2N3O5 and molecular weight 499.07 g/mol. IUPAC: [4-[4-(dimethoxymethyl)pyrimidin-2-yl]phenyl] 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate.
Chemical Property Profile of 1R-0040
Property Insights of 1R-0040
The XLogP value of 5.92442 indicates that 1R-0040 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 1R-0040. Following Lipinski's Rule of Five, 1R-0040 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1R-0040?
The CAS number of 1R-0040 is 477870-40-9.
What is the molecular formula of 1R-0040?
The molecular formula of 1R-0040 is C24H19Cl2N3O5.
What is the molecular weight of 1R-0040?
The molecular weight of 1R-0040 is 499.07 g/mol.
Where can I buy 1R-0040?
You can request a quote for 1R-0040 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1R-0040?
Yes, KEHONG BIO provides custom synthesis services for 1R-0040 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.