KSC-412-012-
TL;DR: KSC-412-012- (CAS 422299-68-1) is a chemical compound with molecular formula C22H19N3O3S3 and molecular weight 469.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(4-ethylphenyl)-6-(2-methylphenyl)-7-oxo-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetic acid
Also Known As: KSC-412-012-, 2-{[3-(4-ethylphenyl)-6-(2-methylphenyl)-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetic acid, F0913-3950, {[3-(4-ethylphenyl)-6-(2-methylphenyl)-7-oxo-2-thioxo-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]thio}acetic acid, 2-[[3-(4-ethylphenyl)-6-(2-methylphenyl)-7-oxo-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetic acid
| Molecular Formula | C22H19N3O3S3 |
|---|---|
| Molecular Weight | 469.06 g/mol |
| LogP | 5.01491 |
| Topological Polar Surface Area | 77.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 469.05887 |
| Heavy Atoms | 31 |
| Complexity | 1401.7766 |
Chemical Identifiers
| CAS Number | 422299-68-1 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)N2C3=C(C(=O)N(C(=N3)SCC(=O)O)C4=CC=CC=C4C)SC2=S |
Product Overview
KSC-412-012- (CAS 422299-68-1), with molecular formula C22H19N3O3S3 and molecular weight 469.06 g/mol. IUPAC: 2-[[3-(4-ethylphenyl)-6-(2-methylphenyl)-7-oxo-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetic acid.
Chemical Property Profile of KSC-412-012-
Property Insights of KSC-412-012-
The XLogP value of 5.01491 indicates that KSC-412-012- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.12 Ų falls within the moderate polarity range, balancing permeability and solubility for KSC-412-012-. Following Lipinski's Rule of Five, KSC-412-012- has 1 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 KSC-412-012-?
The CAS number of KSC-412-012- is 422299-68-1.
What is the molecular formula of KSC-412-012-?
The molecular formula of KSC-412-012- is C22H19N3O3S3.
What is the molecular weight of KSC-412-012-?
The molecular weight of KSC-412-012- is 469.06 g/mol.
Where can I buy KSC-412-012-?
You can request a quote for KSC-412-012- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KSC-412-012-?
Yes, KEHONG BIO provides custom synthesis services for KSC-412-012- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.