3-(((4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl)thio)-1,2-propanediol
TL;DR: 3-(((4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl)thio)-1,2-propanediol (CAS 7251-57-2) is a chemical compound with molecular formula C13H16N2O3S and molecular weight 280.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-methyl-3-oxidoquinazolin-3-ium-2-yl)methylsulfanyl]propane-1,2-diol
Also Known As: 3-(((4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl)thio)-1,2-propanediol, 3-[(4-methyl-3-oxidoquinazolin-3-ium-2-yl)methylsulfanyl]propane-1,2-diol, 3-(4-methyl-3-oxy-quinazolin-2-ylmethylsulfanyl)-propane-1,2-diol, 3-[(4-methyl-3-oxido-quinazolin-3-ium-2-yl)methylsulfanyl]propane-1,2-diol
| Molecular Formula | C13H16N2O3S |
|---|---|
| Molecular Weight | 280.09 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 280.08817 |
| Heavy Atoms | 19 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 7251-57-2 |
|---|---|
| SMILES | CC1=[N+](C(=NC2=CC=CC=C12)CSCC(CO)O)[O-] |
| InChIKey | LKIPXLLNVPGCAF-UHFFFAOYSA-N |
Product Overview
3-(((4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl)thio)-1,2-propanediol (CAS 7251-57-2), with molecular formula C13H16N2O3S and molecular weight 280.09 g/mol. IUPAC: 3-[(4-methyl-3-oxidoquinazolin-3-ium-2-yl)methylsulfanyl]propane-1,2-diol.
Chemical Property Profile of 3-(((4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl)thio)-1,2-propanediol
Property Insights of 3-(((4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl)thio)-1,2-propanediol
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(((4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl)thio)-1,2-propanediol. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(((4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl)thio)-1,2-propanediol. Following Lipinski's Rule of Five, 3-(((4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl)thio)-1,2-propanediol has 2 hydrogen bond donor(s) and 5 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 3-(((4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl)thio)-1,2-propanediol?
The CAS number of 3-(((4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl)thio)-1,2-propanediol is 7251-57-2.
What is the molecular formula of 3-(((4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl)thio)-1,2-propanediol?
The molecular formula of 3-(((4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl)thio)-1,2-propanediol is C13H16N2O3S.
What is the molecular weight of 3-(((4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl)thio)-1,2-propanediol?
The molecular weight of 3-(((4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl)thio)-1,2-propanediol is 280.09 g/mol.
Where can I buy 3-(((4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl)thio)-1,2-propanediol?
You can request a quote for 3-(((4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl)thio)-1,2-propanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(((4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl)thio)-1,2-propanediol?
Yes, KEHONG BIO provides custom synthesis services for 3-(((4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl)thio)-1,2-propanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.