Pin1 modulator 1
TL;DR: Pin1 modulator 1 (CAS 301688-74-4) is a chemical compound with molecular formula C18H15NO3S2 and molecular weight 357.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5E)-5-(naphthalen-1-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
Also Known As: Pin1 modulator 1, BAS 00872046, 4-[(5E)-5-[(naphthalen-1-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid, 4-[(5E)-5-(naphthalen-1-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid, (E)-4-(5-(naphthalen-1-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid
| Molecular Formula | C18H15NO3S2 |
|---|---|
| Molecular Weight | 357.05 g/mol |
| LogP | 3.9058 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 357.04935 |
| Heavy Atoms | 24 |
| Complexity | 854.96765 |
Chemical Identifiers
| CAS Number | 301688-74-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2/C=C/3\C(=O)N(C(=S)S3)CCCC(=O)O |
Product Overview
Pin1 modulator 1 (CAS 301688-74-4), with molecular formula C18H15NO3S2 and molecular weight 357.05 g/mol. IUPAC: 4-[(5E)-5-(naphthalen-1-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid.
Chemical Property Profile of Pin1 modulator 1
Property Insights of Pin1 modulator 1
The XLogP value of 3.9058 indicates that Pin1 modulator 1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.61 Ų, Pin1 modulator 1 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pin1 modulator 1 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 Pin1 modulator 1?
The CAS number of Pin1 modulator 1 is 301688-74-4.
What is the molecular formula of Pin1 modulator 1?
The molecular formula of Pin1 modulator 1 is C18H15NO3S2.
What is the molecular weight of Pin1 modulator 1?
The molecular weight of Pin1 modulator 1 is 357.05 g/mol.
Where can I buy Pin1 modulator 1?
You can request a quote for Pin1 modulator 1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pin1 modulator 1?
Yes, KEHONG BIO provides custom synthesis services for Pin1 modulator 1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.