BAS 01817539
TL;DR: BAS 01817539 (CAS 424802-37-9) is a chemical compound with molecular formula C22H21N5O2S2 and molecular weight 451.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-hydroxy-1-(pyrrolidin-1-ylmethyl)indol-3-yl]iminoacetamide
Also Known As: BAS 01817539, BIM-0042904.P001, 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-[2-oxo-1-(pyrrolidin-1-ylmethyl)indol-3-ylidene]amino]acetamide, (Z)-2-(benzo[d]thiazol-2-ylthio)-N'-(2-oxo-1-(pyrrolidin-1-ylmethyl)indolin-3-ylidene)acetohydrazide, 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-[(3Z)-2-oxo-1-(pyrrolidin-1-ylmethyl)-1,2-dihydro-3H-indol-3-ylidene]acetohydrazide
| Molecular Formula | C22H21N5O2S2 |
|---|---|
| Molecular Weight | 451.11 g/mol |
| LogP | 5.4125 |
| Topological Polar Surface Area | 83.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 451.11368 |
| Heavy Atoms | 31 |
| Complexity | 1240.6282 |
Chemical Identifiers
| CAS Number | 424802-37-9 |
|---|---|
| SMILES | C1CCN(C1)CN2C3=CC=CC=C3C(=C2O)N=NC(=O)CSC4=NC5=CC=CC=C5S4 |
Product Overview
BAS 01817539 (CAS 424802-37-9), with molecular formula C22H21N5O2S2 and molecular weight 451.11 g/mol. IUPAC: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-hydroxy-1-(pyrrolidin-1-ylmethyl)indol-3-yl]iminoacetamide.
Chemical Property Profile of BAS 01817539
Property Insights of BAS 01817539
The XLogP value of 5.4125 indicates that BAS 01817539 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.08 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01817539. Following Lipinski's Rule of Five, BAS 01817539 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01817539?
The CAS number of BAS 01817539 is 424802-37-9.
What is the molecular formula of BAS 01817539?
The molecular formula of BAS 01817539 is C22H21N5O2S2.
What is the molecular weight of BAS 01817539?
The molecular weight of BAS 01817539 is 451.11 g/mol.
Where can I buy BAS 01817539?
You can request a quote for BAS 01817539 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01817539?
Yes, KEHONG BIO provides custom synthesis services for BAS 01817539 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.