S-(4,6-Dimethylpyrimidin-2-yl) O-(p-methoxybenzyl) thiocarbonate
TL;DR: S-(4,6-Dimethylpyrimidin-2-yl) O-(p-methoxybenzyl) thiocarbonate (CAS 41840-29-3) is a chemical compound with molecular formula C15H16N2O3S and molecular weight 304.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methoxyphenyl)methyl (4,6-dimethylpyrimidin-2-yl)sulfanylformate
Also Known As: p-Methoxybenzyl S-(4,6-Dimethylpyrimidin-2-yl)thiocarbonate, (4-methoxyphenyl)methyl (4,6-dimethylpyrimidin-2-yl)sulfanylformate, S-(4,6-Dimethylpyrimidin-2-yl) O-(p-methoxybenzyl) thiocarbonate, p-Methoxybenzyl S-(4,6-dimethylpyrimidin-2-yl) thiocarbonate, s-(4,6-dimethylpyrimidin-2-yl) o-(4-methoxybenzyl) carbonothioate
| Molecular Formula | C15H16N2O3S |
|---|---|
| Molecular Weight | 304.09 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 86.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 304.08817 |
| Heavy Atoms | 21 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 41840-29-3 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SC(=O)OCC2=CC=C(C=C2)OC)C |
| InChIKey | DDIJXDDZBQMPDQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-(4,6-Dimethylpyrimidin-2-yl) O-(p-methoxybenzyl) thiocarbonate (CAS 41840-29-3), with molecular formula C15H16N2O3S and molecular weight 304.09 g/mol. IUPAC: (4-methoxyphenyl)methyl (4,6-dimethylpyrimidin-2-yl)sulfanylformate.
Chemical Property Profile of S-(4,6-Dimethylpyrimidin-2-yl) O-(p-methoxybenzyl) thiocarbonate
Property Insights of S-(4,6-Dimethylpyrimidin-2-yl) O-(p-methoxybenzyl) thiocarbonate
The XLogP value of 3.5 indicates that S-(4,6-Dimethylpyrimidin-2-yl) O-(p-methoxybenzyl) thiocarbonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.6 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(4,6-Dimethylpyrimidin-2-yl) O-(p-methoxybenzyl) thiocarbonate. Following Lipinski's Rule of Five, S-(4,6-Dimethylpyrimidin-2-yl) O-(p-methoxybenzyl) thiocarbonate has 0 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 S-(4,6-Dimethylpyrimidin-2-yl) O-(p-methoxybenzyl) thiocarbonate?
The CAS number of S-(4,6-Dimethylpyrimidin-2-yl) O-(p-methoxybenzyl) thiocarbonate is 41840-29-3.
What is the molecular formula of S-(4,6-Dimethylpyrimidin-2-yl) O-(p-methoxybenzyl) thiocarbonate?
The molecular formula of S-(4,6-Dimethylpyrimidin-2-yl) O-(p-methoxybenzyl) thiocarbonate is C15H16N2O3S.
What is the molecular weight of S-(4,6-Dimethylpyrimidin-2-yl) O-(p-methoxybenzyl) thiocarbonate?
The molecular weight of S-(4,6-Dimethylpyrimidin-2-yl) O-(p-methoxybenzyl) thiocarbonate is 304.09 g/mol.
Where can I buy S-(4,6-Dimethylpyrimidin-2-yl) O-(p-methoxybenzyl) thiocarbonate?
You can request a quote for S-(4,6-Dimethylpyrimidin-2-yl) O-(p-methoxybenzyl) thiocarbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(4,6-Dimethylpyrimidin-2-yl) O-(p-methoxybenzyl) thiocarbonate?
Yes, KEHONG BIO provides custom synthesis services for S-(4,6-Dimethylpyrimidin-2-yl) O-(p-methoxybenzyl) thiocarbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.