ET 3-AC-6-ME-4-(3-Nitro-PH)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
TL;DR: ET 3-AC-6-ME-4-(3-Nitro-PH)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate (CAS 111535-63-8) is a chemical compound with molecular formula C16H17N3O5S and molecular weight 363.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-acetyl-6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate
Also Known As: BAS 00279430, Ethyl 3-acetyl-6-methyl-4-(3-nitrophenyl)-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, ET 3-AC-6-ME-4-(3-NITRO-PH)-2-THIOXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBOXYLATE, ethyl 3-acetyl-6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate, 651-636-6
| Molecular Formula | C16H17N3O5S |
|---|---|
| Molecular Weight | 363.09 g/mol |
| LogP | 2.2096 |
| Topological Polar Surface Area | 101.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 363.0889 |
| Heavy Atoms | 25 |
| Complexity | 789.7298 |
Chemical Identifiers
| CAS Number | 111535-63-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=S)N(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C)C |
Product Overview
ET 3-AC-6-ME-4-(3-Nitro-PH)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate (CAS 111535-63-8), with molecular formula C16H17N3O5S and molecular weight 363.09 g/mol. IUPAC: ethyl 3-acetyl-6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate.
Chemical Property Profile of ET 3-AC-6-ME-4-(3-Nitro-PH)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
Property Insights of ET 3-AC-6-ME-4-(3-Nitro-PH)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
The XLogP value of 2.2096 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ET 3-AC-6-ME-4-(3-Nitro-PH)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate. The TPSA of 101.78 Ų falls within the moderate polarity range, balancing permeability and solubility for ET 3-AC-6-ME-4-(3-Nitro-PH)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate. Following Lipinski's Rule of Five, ET 3-AC-6-ME-4-(3-Nitro-PH)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate has 1 hydrogen bond donor(s) and 6 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 ET 3-AC-6-ME-4-(3-Nitro-PH)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate?
The CAS number of ET 3-AC-6-ME-4-(3-Nitro-PH)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate is 111535-63-8.
What is the molecular formula of ET 3-AC-6-ME-4-(3-Nitro-PH)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate?
The molecular formula of ET 3-AC-6-ME-4-(3-Nitro-PH)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate is C16H17N3O5S.
What is the molecular weight of ET 3-AC-6-ME-4-(3-Nitro-PH)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate?
The molecular weight of ET 3-AC-6-ME-4-(3-Nitro-PH)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate is 363.09 g/mol.
Where can I buy ET 3-AC-6-ME-4-(3-Nitro-PH)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate?
You can request a quote for ET 3-AC-6-ME-4-(3-Nitro-PH)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ET 3-AC-6-ME-4-(3-Nitro-PH)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for ET 3-AC-6-ME-4-(3-Nitro-PH)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.