BAS 01817591
TL;DR: BAS 01817591 (CAS 488782-79-2) is a chemical compound with molecular formula C21H20BrCl2N5O2 and molecular weight 523.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-bromo-2-hydroxy-1-[(4-methylpiperazin-1-yl)methyl]indol-3-yl]imino-2,4-dichlorobenzamide
Also Known As: BAS 01817591, (Z)-N'-(5-bromo-1-((4-methylpiperazin-1-yl)methyl)-2-oxoindolin-3-ylidene)-2,4-dichlorobenzohydrazide, N'-{(3Z)-5-bromo-1-[(4-methylpiperazin-1-yl)methyl]-2-oxo-1,2-dihydro-3H-indol-3-ylidene}-2,4-dichlorobenzohydrazide, N'~1~-{5-BROMO-1-[(4-METHYLPIPERAZINO)METHYL]-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDEN}-2,4-DICHLOROBENZOHYDRAZIDE, N-[[5-bromo-1-[(4-methylpiperazin-1-yl)methyl]-2-oxoindol-3-ylidene]amino]-2,4-dichlorobenzamide
| Molecular Formula | C21H20BrCl2N5O2 |
|---|---|
| Molecular Weight | 523.02 g/mol |
| LogP | 5.5452 |
| Topological Polar Surface Area | 73.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 523.01776 |
| Heavy Atoms | 31 |
| Complexity | 1172.2767 |
Chemical Identifiers
| CAS Number | 488782-79-2 |
|---|---|
| SMILES | CN1CCN(CC1)CN2C3=C(C=C(C=C3)Br)C(=C2O)N=NC(=O)C4=C(C=C(C=C4)Cl)Cl |
Product Overview
BAS 01817591 (CAS 488782-79-2), with molecular formula C21H20BrCl2N5O2 and molecular weight 523.02 g/mol. IUPAC: N-[5-bromo-2-hydroxy-1-[(4-methylpiperazin-1-yl)methyl]indol-3-yl]imino-2,4-dichlorobenzamide.
Chemical Property Profile of BAS 01817591
Property Insights of BAS 01817591
The XLogP value of 5.5452 indicates that BAS 01817591 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.43 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01817591. Following Lipinski's Rule of Five, BAS 01817591 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01817591?
The CAS number of BAS 01817591 is 488782-79-2.
What is the molecular formula of BAS 01817591?
The molecular formula of BAS 01817591 is C21H20BrCl2N5O2.
What is the molecular weight of BAS 01817591?
The molecular weight of BAS 01817591 is 523.02 g/mol.
Where can I buy BAS 01817591?
You can request a quote for BAS 01817591 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01817591?
Yes, KEHONG BIO provides custom synthesis services for BAS 01817591 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.