11K-574S
TL;DR: 11K-574S (CAS 303147-51-5) is a chemical compound with molecular formula C20H19N3O3S2 and molecular weight 413.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[6-(benzenesulfinylmethyl)-2-pyridin-3-ylpyrimidin-4-yl]sulfanylacetate
Also Known As: 11K-574S, ethyl 2-{[6-[(phenylsulfinyl)methyl]-2-(3-pyridinyl)-4-pyrimidinyl]sulfanyl}acetate, ethyl 2-[6-(benzenesulfinylmethyl)-2-pyridin-3-ylpyrimidin-4-yl]sulfanylacetate, ethyl 2-({6-[(benzenesulfinyl)methyl]-2-(pyridin-3-yl)pyrimidin-4-yl}sulfanyl)acetate
| Molecular Formula | C20H19N3O3S2 |
|---|---|
| Molecular Weight | 413.09 g/mol |
| LogP | 3.5016 |
| Topological Polar Surface Area | 82.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 413.0868 |
| Heavy Atoms | 28 |
| Complexity | 953.42444 |
Chemical Identifiers
| CAS Number | 303147-51-5 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC(=NC(=C1)CS(=O)C2=CC=CC=C2)C3=CN=CC=C3 |
Product Overview
11K-574S (CAS 303147-51-5), with molecular formula C20H19N3O3S2 and molecular weight 413.09 g/mol. IUPAC: ethyl 2-[6-(benzenesulfinylmethyl)-2-pyridin-3-ylpyrimidin-4-yl]sulfanylacetate.
Chemical Property Profile of 11K-574S
Property Insights of 11K-574S
The XLogP value of 3.5016 indicates that 11K-574S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 11K-574S. Following Lipinski's Rule of Five, 11K-574S has 0 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 11K-574S?
The CAS number of 11K-574S is 303147-51-5.
What is the molecular formula of 11K-574S?
The molecular formula of 11K-574S is C20H19N3O3S2.
What is the molecular weight of 11K-574S?
The molecular weight of 11K-574S is 413.09 g/mol.
Where can I buy 11K-574S?
You can request a quote for 11K-574S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11K-574S?
Yes, KEHONG BIO provides custom synthesis services for 11K-574S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.