11K-519S
TL;DR: 11K-519S (CAS 303147-16-2) is a chemical compound with molecular formula C21H19ClN2O2S2 and molecular weight 430.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[6-[(4-chlorophenyl)sulfanylmethyl]-2-phenylpyrimidin-4-yl]sulfanylacetate
Also Known As: 11K-519S, ethyl 2-[(6-{[(4-chlorophenyl)sulfanyl]methyl}-2-phenyl-4-pyrimidinyl)sulfanyl]acetate, ethyl 2-[6-[(4-chlorophenyl)sulfanylmethyl]-2-phenylpyrimidin-4-yl]sulfanylacetate, ethyl 2-[(6-{[(4-chlorophenyl)sulfanyl]methyl}-2-phenylpyrimidin-4-yl)sulfanyl]acetate, Ethyl 2-[6-[(4-chlorophenyl)sulfanylmethyl]-2-phenyl-pyrimidin-4-yl]sulfanylacetate
| Molecular Formula | C21H19ClN2O2S2 |
|---|---|
| Molecular Weight | 430.06 g/mol |
| LogP | 5.7445 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 430.05765 |
| Heavy Atoms | 28 |
| Complexity | 921.44855 |
Chemical Identifiers
| CAS Number | 303147-16-2 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC(=NC(=C1)CSC2=CC=C(C=C2)Cl)C3=CC=CC=C3 |
Product Overview
11K-519S (CAS 303147-16-2), with molecular formula C21H19ClN2O2S2 and molecular weight 430.06 g/mol. IUPAC: ethyl 2-[6-[(4-chlorophenyl)sulfanylmethyl]-2-phenylpyrimidin-4-yl]sulfanylacetate.
Chemical Property Profile of 11K-519S
Property Insights of 11K-519S
The XLogP value of 5.7445 indicates that 11K-519S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.08 Ų, 11K-519S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11K-519S has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 11K-519S?
The CAS number of 11K-519S is 303147-16-2.
What is the molecular formula of 11K-519S?
The molecular formula of 11K-519S is C21H19ClN2O2S2.
What is the molecular weight of 11K-519S?
The molecular weight of 11K-519S is 430.06 g/mol.
Where can I buy 11K-519S?
You can request a quote for 11K-519S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11K-519S?
Yes, KEHONG BIO provides custom synthesis services for 11K-519S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.