BIM-0036031.P001
TL;DR: BIM-0036031.P001 (CAS 314039-55-9) is a chemical compound with molecular formula C22H22N2OS2 and molecular weight 394.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-ylsulfanyl)-1-(2,2,4,7-tetramethylquinolin-1-yl)ethanone
Also Known As: BIM-0036031.P001, AJ-292/13095059, 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(2,2,4,7-tetramethylquinolin-1(2H)-yl)ethanone, 1,3-benzothiazol-2-yl 2-oxo-2-(2,2,4,7-tetramethyl-1(2H)-quinolinyl)ethyl sulfide, 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(2,2,4,7-tetramethylquinolin-1-yl)ethanone
| Molecular Formula | C22H22N2OS2 |
|---|---|
| Molecular Weight | 394.12 g/mol |
| LogP | 5.92552 |
| Topological Polar Surface Area | 33.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 394.11737 |
| Heavy Atoms | 27 |
| Complexity | 1032.115 |
Chemical Identifiers
| CAS Number | 314039-55-9 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)C(=CC(N2C(=O)CSC3=NC4=CC=CC=C4S3)(C)C)C |
Product Overview
BIM-0036031.P001 (CAS 314039-55-9), with molecular formula C22H22N2OS2 and molecular weight 394.12 g/mol. IUPAC: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(2,2,4,7-tetramethylquinolin-1-yl)ethanone.
Chemical Property Profile of BIM-0036031.P001
Property Insights of BIM-0036031.P001
The XLogP value of 5.92552 indicates that BIM-0036031.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.2 Ų, BIM-0036031.P001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BIM-0036031.P001 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BIM-0036031.P001?
The CAS number of BIM-0036031.P001 is 314039-55-9.
What is the molecular formula of BIM-0036031.P001?
The molecular formula of BIM-0036031.P001 is C22H22N2OS2.
What is the molecular weight of BIM-0036031.P001?
The molecular weight of BIM-0036031.P001 is 394.12 g/mol.
Where can I buy BIM-0036031.P001?
You can request a quote for BIM-0036031.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0036031.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0036031.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.