Monastrol
TL;DR: Monastrol (CAS 254753-54-3) is a chemical compound with molecular formula C14H16N2O3S and molecular weight 292.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (4S)-4-(3-hydroxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: monastrol, (S)-Monastrol, (4S)-Monastrol, (+)-Monastrol, Monastrol [MI]
| Molecular Formula | C14H16N2O3S |
|---|---|
| Molecular Weight | 292.09 g/mol |
| LogP | 1.7481 |
| Topological Polar Surface Area | 70.59 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 292.08817 |
| Heavy Atoms | 20 |
| Complexity | 583.5367 |
Chemical Identifiers
| CAS Number | 254753-54-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=S)N[C@H]1C2=CC(=CC=C2)O)C |
Product Overview
Monastrol (CAS 254753-54-3), with molecular formula C14H16N2O3S and molecular weight 292.09 g/mol. IUPAC: ethyl (4S)-4-(3-hydroxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of Monastrol
Property Insights of Monastrol
The XLogP value of 1.7481 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Monastrol. The TPSA of 70.59 Ų falls within the moderate polarity range, balancing permeability and solubility for Monastrol. Following Lipinski's Rule of Five, Monastrol has 3 hydrogen bond donor(s) and 4 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 Monastrol?
The CAS number of Monastrol is 254753-54-3.
What is the molecular formula of Monastrol?
The molecular formula of Monastrol is C14H16N2O3S.
What is the molecular weight of Monastrol?
The molecular weight of Monastrol is 292.09 g/mol.
Where can I buy Monastrol?
You can request a quote for Monastrol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Monastrol?
Yes, KEHONG BIO provides custom synthesis services for Monastrol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.