BIM-0049114.P001
TL;DR: BIM-0049114.P001 (CAS 5573-19-3) is a chemical compound with molecular formula C16H19N3O4S and molecular weight 349.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 6-methyl-2-methylsulfanyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylate
Also Known As: BIM-0049114.P001, J2.026.302D, propan-2-yl 6-methyl-2-methylsulfanyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylate, isopropyl 4-methyl-2-(methylthio)-6-(3-nitrophenyl)-1,6-dihydro-5-pyrimidinecarboxylate, propan-2-yl 6-methyl-2-(methylsulfanyl)-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylate
| Molecular Formula | C16H19N3O4S |
|---|---|
| Molecular Weight | 349.11 g/mol |
| LogP | 3.1837 |
| Topological Polar Surface Area | 93.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 349.10962 |
| Heavy Atoms | 24 |
| Complexity | 727.78766 |
Chemical Identifiers
| CAS Number | 5573-19-3 |
|---|---|
| SMILES | CC1=C(C(N=C(N1)SC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC(C)C |
Product Overview
BIM-0049114.P001 (CAS 5573-19-3), with molecular formula C16H19N3O4S and molecular weight 349.11 g/mol. IUPAC: propan-2-yl 6-methyl-2-methylsulfanyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylate.
Chemical Property Profile of BIM-0049114.P001
Property Insights of BIM-0049114.P001
The XLogP value of 3.1837 indicates that BIM-0049114.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.83 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0049114.P001. Following Lipinski's Rule of Five, BIM-0049114.P001 has 1 hydrogen bond donor(s) and 7 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-0049114.P001?
The CAS number of BIM-0049114.P001 is 5573-19-3.
What is the molecular formula of BIM-0049114.P001?
The molecular formula of BIM-0049114.P001 is C16H19N3O4S.
What is the molecular weight of BIM-0049114.P001?
The molecular weight of BIM-0049114.P001 is 349.11 g/mol.
Where can I buy BIM-0049114.P001?
You can request a quote for BIM-0049114.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0049114.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0049114.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.