BAS 02179156
TL;DR: BAS 02179156 (CAS 333447-02-2) is a chemical compound with molecular formula C22H21BrN4O6S and molecular weight 548.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-[[5-[[(4-bromophenyl)sulfonylamino]methyl]furan-2-yl]methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide
Also Known As: BAS 02179156, 2-[[(4-Methoxyphenyl)methyl]amino]-2-oxoacetic acid 2-[[5-[[[(4-bromophenyl)sulfonyl]amino]methyl]-2-furanyl]methylene]hydrazide, N'-[[5-[[(4-bromophenyl)sulfonylamino]methyl]furan-2-yl]methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide
| Molecular Formula | C22H21BrN4O6S |
|---|---|
| Molecular Weight | 548.04 g/mol |
| LogP | 2.2957 |
| Topological Polar Surface Area | 139.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 548.0365 |
| Heavy Atoms | 34 |
| Complexity | 1271.4834 |
Chemical Identifiers
| CAS Number | 333447-02-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CNC(=O)C(=O)NN=CC2=CC=C(O2)CNS(=O)(=O)C3=CC=C(C=C3)Br |
Product Overview
BAS 02179156 (CAS 333447-02-2), with molecular formula C22H21BrN4O6S and molecular weight 548.04 g/mol. IUPAC: N'-[[5-[[(4-bromophenyl)sulfonylamino]methyl]furan-2-yl]methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide.
Chemical Property Profile of BAS 02179156
Property Insights of BAS 02179156
The XLogP value of 2.2957 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 02179156. The TPSA of 139.1 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02179156. Following Lipinski's Rule of Five, BAS 02179156 has 3 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 02179156?
The CAS number of BAS 02179156 is 333447-02-2.
What is the molecular formula of BAS 02179156?
The molecular formula of BAS 02179156 is C22H21BrN4O6S.
What is the molecular weight of BAS 02179156?
The molecular weight of BAS 02179156 is 548.04 g/mol.
Where can I buy BAS 02179156?
You can request a quote for BAS 02179156 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02179156?
Yes, KEHONG BIO provides custom synthesis services for BAS 02179156 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.