匹立尼酸
TL;DR: 匹立尼酸 (CAS 50892-23-4) is a chemical compound with molecular formula C14H14ClN3O2S and molecular weight 323.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
匹立尼酸
2-[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]sulfanylacetic acid
Also Known As: Pirinixic acid, Acido pirinixico, Acide pirinixique, Acidum pirinixicum, pirinixic-acid
| Molecular Formula | C14H14ClN3O2S |
|---|---|
| Molecular Weight | 323.05 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 323.04953 |
| Heavy Atoms | 21 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 50892-23-4 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)NC2=CC(=NC(=N2)SCC(=O)O)Cl)C |
| InChIKey | SZRPDCCEHVWOJX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
匹立尼酸 (CAS 50892-23-4), with molecular formula C14H14ClN3O2S and molecular weight 323.05 g/mol. IUPAC: 2-[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]sulfanylacetic acid.
Chemical Property Profile of 匹立尼酸
Property Insights of 匹立尼酸
The XLogP value of 4.2 indicates that 匹立尼酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 匹立尼酸. Following Lipinski's Rule of Five, 匹立尼酸 has 2 hydrogen bond donor(s) and 6 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 匹立尼酸?
The CAS number of 匹立尼酸 is 50892-23-4.
What is the molecular formula of 匹立尼酸?
The molecular formula of 匹立尼酸 is C14H14ClN3O2S.
What is the molecular weight of 匹立尼酸?
The molecular weight of 匹立尼酸 is 323.05 g/mol.
Where can I buy 匹立尼酸?
You can request a quote for 匹立尼酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 匹立尼酸?
Yes, KEHONG BIO provides custom synthesis services for 匹立尼酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.