2-((6-Chloro-2-isopropylquinazolin-4-yl)thio)acetic acid
TL;DR: 2-((6-Chloro-2-isopropylquinazolin-4-yl)thio)acetic acid (CAS 872473-52-4) is a chemical compound with molecular formula C13H13ClN2O2S and molecular weight 296.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-chloro-2-propan-2-ylquinazolin-4-yl)sulfanylacetic acid
Also Known As: 2-((6-Chloro-2-isopropylquinazolin-4-yl)thio)acetic acid, 2-{[6-chloro-2-(propan-2-yl)quinazolin-4-yl]sulfanyl}acetic acid, (6-Chloro-2-isopropyl-quinazolin-4-ylsulfanyl)-acetic acid, 2-(6-chloro-2-propan-2-yl-quinazolin-4-yl)sulfanylacetic Acid, 2-(6-chloro-2-propan-2-ylquinazolin-4-yl)sulfanylacetic acid
| Molecular Formula | C13H13ClN2O2S |
|---|---|
| Molecular Weight | 296.04 g/mol |
| LogP | 3.5833 |
| Topological Polar Surface Area | 63.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.03864 |
| Heavy Atoms | 19 |
| Complexity | 631.31445 |
Chemical Identifiers
| CAS Number | 872473-52-4 |
|---|---|
| SMILES | CC(C)C1=NC2=C(C=C(C=C2)Cl)C(=N1)SCC(=O)O |
Product Overview
2-((6-Chloro-2-isopropylquinazolin-4-yl)thio)acetic acid (CAS 872473-52-4), with molecular formula C13H13ClN2O2S and molecular weight 296.04 g/mol. IUPAC: 2-(6-chloro-2-propan-2-ylquinazolin-4-yl)sulfanylacetic acid.
Chemical Property Profile of 2-((6-Chloro-2-isopropylquinazolin-4-yl)thio)acetic acid
Property Insights of 2-((6-Chloro-2-isopropylquinazolin-4-yl)thio)acetic acid
The XLogP value of 3.5833 indicates that 2-((6-Chloro-2-isopropylquinazolin-4-yl)thio)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((6-Chloro-2-isopropylquinazolin-4-yl)thio)acetic acid. Following Lipinski's Rule of Five, 2-((6-Chloro-2-isopropylquinazolin-4-yl)thio)acetic acid has 1 hydrogen bond donor(s) and 4 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 2-((6-Chloro-2-isopropylquinazolin-4-yl)thio)acetic acid?
The CAS number of 2-((6-Chloro-2-isopropylquinazolin-4-yl)thio)acetic acid is 872473-52-4.
What is the molecular formula of 2-((6-Chloro-2-isopropylquinazolin-4-yl)thio)acetic acid?
The molecular formula of 2-((6-Chloro-2-isopropylquinazolin-4-yl)thio)acetic acid is C13H13ClN2O2S.
What is the molecular weight of 2-((6-Chloro-2-isopropylquinazolin-4-yl)thio)acetic acid?
The molecular weight of 2-((6-Chloro-2-isopropylquinazolin-4-yl)thio)acetic acid is 296.04 g/mol.
Where can I buy 2-((6-Chloro-2-isopropylquinazolin-4-yl)thio)acetic acid?
You can request a quote for 2-((6-Chloro-2-isopropylquinazolin-4-yl)thio)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((6-Chloro-2-isopropylquinazolin-4-yl)thio)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((6-Chloro-2-isopropylquinazolin-4-yl)thio)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.