11K-508S
TL;DR: 11K-508S (CAS 303147-07-1) is a chemical compound with molecular formula C20H19N3O4S2 and molecular weight 429.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[6-(benzenesulfonylmethyl)-2-pyridin-4-ylpyrimidin-4-yl]sulfanylacetate
Also Known As: 11K-508S, ethyl 2-{[6-[(phenylsulfonyl)methyl]-2-(4-pyridinyl)-4-pyrimidinyl]sulfanyl}acetate, ethyl 2-[6-(benzenesulfonylmethyl)-2-pyridin-4-ylpyrimidin-4-yl]sulfanylacetate, ethyl 2-({6-[(benzenesulfonyl)methyl]-2-(pyridin-4-yl)pyrimidin-4-yl}sulfanyl)acetate
| Molecular Formula | C20H19N3O4S2 |
|---|---|
| Molecular Weight | 429.08 g/mol |
| LogP | 3.1677 |
| Topological Polar Surface Area | 99.11 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 429.0817 |
| Heavy Atoms | 29 |
| Complexity | 1075.3951 |
Chemical Identifiers
| CAS Number | 303147-07-1 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC(=NC(=C1)CS(=O)(=O)C2=CC=CC=C2)C3=CC=NC=C3 |
Product Overview
11K-508S (CAS 303147-07-1), with molecular formula C20H19N3O4S2 and molecular weight 429.08 g/mol. IUPAC: ethyl 2-[6-(benzenesulfonylmethyl)-2-pyridin-4-ylpyrimidin-4-yl]sulfanylacetate.
Chemical Property Profile of 11K-508S
Property Insights of 11K-508S
The XLogP value of 3.1677 indicates that 11K-508S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 11K-508S. Following Lipinski's Rule of Five, 11K-508S has 0 hydrogen bond donor(s) and 8 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-508S?
The CAS number of 11K-508S is 303147-07-1.
What is the molecular formula of 11K-508S?
The molecular formula of 11K-508S is C20H19N3O4S2.
What is the molecular weight of 11K-508S?
The molecular weight of 11K-508S is 429.08 g/mol.
Where can I buy 11K-508S?
You can request a quote for 11K-508S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11K-508S?
Yes, KEHONG BIO provides custom synthesis services for 11K-508S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.