MixCom6_001798
TL;DR: MixCom6_001798 (CAS 5766-18-7) is a chemical compound with molecular formula C17H21N3O5 and molecular weight 347.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 3-ethyl-4-methyl-6-(2-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate
Also Known As: MixCom6_001798, BAS 00915636, BIM-0032136.P001, 9-benzyl-9-azabicyclo<3.3.1>CTK1E0832, propyl 1-ethyl-6-methyl-4-(2-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
| Molecular Formula | C17H21N3O5 |
|---|---|
| Molecular Weight | 347.15 g/mol |
| LogP | 2.9082 |
| Topological Polar Surface Area | 101.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 347.14813 |
| Heavy Atoms | 25 |
| Complexity | 728.7484 |
Chemical Identifiers
| CAS Number | 5766-18-7 |
|---|---|
| SMILES | CCCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2[N+](=O)[O-])CC)C |
Product Overview
MixCom6_001798 (CAS 5766-18-7), with molecular formula C17H21N3O5 and molecular weight 347.15 g/mol. IUPAC: propyl 3-ethyl-4-methyl-6-(2-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate.
Chemical Property Profile of MixCom6_001798
Property Insights of MixCom6_001798
The XLogP value of 2.9082 suggests moderate lipophilicity, balancing water solubility and membrane permeability for MixCom6_001798. The TPSA of 101.78 Ų falls within the moderate polarity range, balancing permeability and solubility for MixCom6_001798. Following Lipinski's Rule of Five, MixCom6_001798 has 1 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 MixCom6_001798?
The CAS number of MixCom6_001798 is 5766-18-7.
What is the molecular formula of MixCom6_001798?
The molecular formula of MixCom6_001798 is C17H21N3O5.
What is the molecular weight of MixCom6_001798?
The molecular weight of MixCom6_001798 is 347.15 g/mol.
Where can I buy MixCom6_001798?
You can request a quote for MixCom6_001798 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MixCom6_001798?
Yes, KEHONG BIO provides custom synthesis services for MixCom6_001798 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.