PIN1 inhibitor 6
TL;DR: PIN1 inhibitor 6 (CAS 637325-53-2) is a chemical compound with molecular formula C16H15N3O2S2 and molecular weight 345.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(2,3-dimethylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
Also Known As: PIN1 inhibitor 6, CBKinase1_007668, CBKinase1_020068, IFLab1_006339, 2-((4-(2,3-Dimethylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetic acid
| Molecular Formula | C16H15N3O2S2 |
|---|---|
| Molecular Weight | 345.06 g/mol |
| LogP | 3.78934 |
| Topological Polar Surface Area | 68.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 345.06058 |
| Heavy Atoms | 23 |
| Complexity | 841.13983 |
Chemical Identifiers
| CAS Number | 637325-53-2 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)N2C(=NN=C2SCC(=O)O)C3=CC=CS3)C |
Product Overview
PIN1 inhibitor 6 (CAS 637325-53-2), with molecular formula C16H15N3O2S2 and molecular weight 345.06 g/mol. IUPAC: 2-[[4-(2,3-dimethylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetic acid.
Chemical Property Profile of PIN1 inhibitor 6
Property Insights of PIN1 inhibitor 6
The XLogP value of 3.78934 indicates that PIN1 inhibitor 6 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.01 Ų falls within the moderate polarity range, balancing permeability and solubility for PIN1 inhibitor 6. Following Lipinski's Rule of Five, PIN1 inhibitor 6 has 1 hydrogen bond donor(s) and 5 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 PIN1 inhibitor 6?
The CAS number of PIN1 inhibitor 6 is 637325-53-2.
What is the molecular formula of PIN1 inhibitor 6?
The molecular formula of PIN1 inhibitor 6 is C16H15N3O2S2.
What is the molecular weight of PIN1 inhibitor 6?
The molecular weight of PIN1 inhibitor 6 is 345.06 g/mol.
Where can I buy PIN1 inhibitor 6?
You can request a quote for PIN1 inhibitor 6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PIN1 inhibitor 6?
Yes, KEHONG BIO provides custom synthesis services for PIN1 inhibitor 6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.