A2790/0117874
TL;DR: A2790/0117874 (CAS 402604-27-7) is a chemical compound with molecular formula C16H19N3O7S and molecular weight 397.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanylethyl 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: A2790/0117874, 2-(methylsulfanyl)ethyl 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, 2-(methylsulfanyl)ethyl 4-{4-hydroxy-3-nitro-5-methoxyphenyl}-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate, 2-(methylthio)ethyl 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, 2-methylsulfanylethyl 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
| Molecular Formula | C16H19N3O7S |
|---|---|
| Molecular Weight | 397.09 g/mol |
| LogP | 1.8431 |
| Topological Polar Surface Area | 140.03 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 397.09436 |
| Heavy Atoms | 27 |
| Complexity | 809.4488 |
Chemical Identifiers
| CAS Number | 402604-27-7 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1)C2=CC(=C(C(=C2)OC)O)[N+](=O)[O-])C(=O)OCCSC |
Product Overview
A2790/0117874 (CAS 402604-27-7), with molecular formula C16H19N3O7S and molecular weight 397.09 g/mol. IUPAC: 2-methylsulfanylethyl 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of A2790/0117874
Property Insights of A2790/0117874
The XLogP value of 1.8431 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A2790/0117874. The TPSA of 140.03 Ų indicates high polarity, suggesting A2790/0117874 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, A2790/0117874 has 3 hydrogen bond donor(s) and 8 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 A2790/0117874?
The CAS number of A2790/0117874 is 402604-27-7.
What is the molecular formula of A2790/0117874?
The molecular formula of A2790/0117874 is C16H19N3O7S.
What is the molecular weight of A2790/0117874?
The molecular weight of A2790/0117874 is 397.09 g/mol.
Where can I buy A2790/0117874?
You can request a quote for A2790/0117874 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2790/0117874?
Yes, KEHONG BIO provides custom synthesis services for A2790/0117874 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.