ChemDiv3_012943
TL;DR: ChemDiv3_012943 (CAS 422299-15-8) is a chemical compound with molecular formula C20H12ClFN4OS3 and molecular weight 473.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(4-chloro-3-methylphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetonitrile
Also Known As: ChemDiv3_012943, BRD-K95656837-001-01-7, 2-{[3-(4-chloro-3-methylphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetonitrile, F0916-5390, 2-((3-(4-chloro-3-methylphenyl)-6-(4-fluorophenyl)-7-oxo-2-thioxo-2,3,6,7-tetrahydrothiazolo[4,5-d]pyrimidin-5-yl)thio)acetonitrile
| Molecular Formula | C20H12ClFN4OS3 |
|---|---|
| Molecular Weight | 473.98 g/mol |
| LogP | 5.68399 |
| Topological Polar Surface Area | 63.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 473.9846 |
| Heavy Atoms | 30 |
| Complexity | 1434.1871 |
Chemical Identifiers
| CAS Number | 422299-15-8 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)N2C3=C(C(=O)N(C(=N3)SCC#N)C4=CC=C(C=C4)F)SC2=S)Cl |
Product Overview
ChemDiv3_012943 (CAS 422299-15-8), with molecular formula C20H12ClFN4OS3 and molecular weight 473.98 g/mol. IUPAC: 2-[[3-(4-chloro-3-methylphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetonitrile.
Chemical Property Profile of ChemDiv3_012943
Property Insights of ChemDiv3_012943
The XLogP value of 5.68399 indicates that ChemDiv3_012943 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.61 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_012943. Following Lipinski's Rule of Five, ChemDiv3_012943 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 ChemDiv3_012943?
The CAS number of ChemDiv3_012943 is 422299-15-8.
What is the molecular formula of ChemDiv3_012943?
The molecular formula of ChemDiv3_012943 is C20H12ClFN4OS3.
What is the molecular weight of ChemDiv3_012943?
The molecular weight of ChemDiv3_012943 is 473.98 g/mol.
Where can I buy ChemDiv3_012943?
You can request a quote for ChemDiv3_012943 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_012943?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_012943 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.