BIM-0048039.P001
TL;DR: BIM-0048039.P001 (CAS 5236-71-5) is a chemical compound with molecular formula C14H15N3O5S and molecular weight 337.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(2-hydroxy-5-nitrophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: BIM-0048039.P001, ethyl 4-(2-hydroxy-5-nitrophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate, ethyl 4-(2-hydroxy-5-nitrophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate, Ethyl 4-(2-hydroxy-5-nitrophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
| Molecular Formula | C14H15N3O5S |
|---|---|
| Molecular Weight | 337.07 g/mol |
| LogP | 1.6563 |
| Topological Polar Surface Area | 113.73 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 337.07324 |
| Heavy Atoms | 23 |
| Complexity | 716.3643 |
Chemical Identifiers
| CAS Number | 5236-71-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=S)NC1C2=C(C=CC(=C2)[N+](=O)[O-])O)C |
Product Overview
BIM-0048039.P001 (CAS 5236-71-5), with molecular formula C14H15N3O5S and molecular weight 337.07 g/mol. IUPAC: ethyl 4-(2-hydroxy-5-nitrophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of BIM-0048039.P001
Property Insights of BIM-0048039.P001
The XLogP value of 1.6563 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BIM-0048039.P001. The TPSA of 113.73 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0048039.P001. Following Lipinski's Rule of Five, BIM-0048039.P001 has 3 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 BIM-0048039.P001?
The CAS number of BIM-0048039.P001 is 5236-71-5.
What is the molecular formula of BIM-0048039.P001?
The molecular formula of BIM-0048039.P001 is C14H15N3O5S.
What is the molecular weight of BIM-0048039.P001?
The molecular weight of BIM-0048039.P001 is 337.07 g/mol.
Where can I buy BIM-0048039.P001?
You can request a quote for BIM-0048039.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0048039.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0048039.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.