Ptp1B-IN-22
TL;DR: Ptp1B-IN-22 (CAS 86109-60-6) is a chemical compound with molecular formula C16H12N2O3S2 and molecular weight 344.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]benzoic acid
Also Known As: PTP1B-IN-22, 4-(2-(Benzo[d]thiazol-2-ylthio)acetamido)benzoic acid, 4-[2-(1,3-benzothiazol-2-ylsulfanyl)acetamido]benzoic acid, 4-(2-benzothiazol-2-ylthioacetylamino)benzoic acid, 4-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]benzoic acid
| Molecular Formula | C16H12N2O3S2 |
|---|---|
| Molecular Weight | 344.03 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 344.02893 |
| Heavy Atoms | 23 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 86109-60-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)SCC(=O)NC3=CC=C(C=C3)C(=O)O |
| InChIKey | ARVQDURBWHSEPA-UHFFFAOYSA-N |
Product Overview
Ptp1B-IN-22 (CAS 86109-60-6), with molecular formula C16H12N2O3S2 and molecular weight 344.03 g/mol. IUPAC: 4-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]benzoic acid.
Chemical Property Profile of Ptp1B-IN-22
Property Insights of Ptp1B-IN-22
The XLogP value of 3.5 indicates that Ptp1B-IN-22 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ptp1B-IN-22. Following Lipinski's Rule of Five, Ptp1B-IN-22 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 Ptp1B-IN-22?
The CAS number of Ptp1B-IN-22 is 86109-60-6.
What is the molecular formula of Ptp1B-IN-22?
The molecular formula of Ptp1B-IN-22 is C16H12N2O3S2.
What is the molecular weight of Ptp1B-IN-22?
The molecular weight of Ptp1B-IN-22 is 344.03 g/mol.
Where can I buy Ptp1B-IN-22?
You can request a quote for Ptp1B-IN-22 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ptp1B-IN-22?
Yes, KEHONG BIO provides custom synthesis services for Ptp1B-IN-22 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.