BAS 00548083
TL;DR: BAS 00548083 (CAS 326905-66-2) is a chemical compound with molecular formula C26H18ClF2N7O5 and molecular weight 581.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-[[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 2-chloro-4,5-difluorobenzoate
Also Known As: BAS 00548083, A1439/0063811, [4-[(E)-[[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 2-chloro-4,5-difluorobenzoate, 4-[(E)-(2-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-benzimidazol-1-yl]acetyl}hydrazinylidene)methyl]-2-methoxyphenyl 2-chloro-4,5-difluorobenzoate, (E)-4-((2-(2-(2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-benzo[d]imidazol-1-yl)acetyl)hydrazono)methyl)-2-methoxyphenyl 2-chloro-4,5-difluorobenzoate
| Molecular Formula | C26H18ClF2N7O5 |
|---|---|
| Molecular Weight | 581.10 g/mol |
| LogP | 3.9782 |
| Topological Polar Surface Area | 159.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 581.1026 |
| Heavy Atoms | 41 |
| Complexity | 1821.5969 |
Chemical Identifiers
| CAS Number | 326905-66-2 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=N/NC(=O)CN2C3=CC=CC=C3N=C2C4=NON=C4N)OC(=O)C5=CC(=C(C=C5Cl)F)F |
Product Overview
BAS 00548083 (CAS 326905-66-2), with molecular formula C26H18ClF2N7O5 and molecular weight 581.10 g/mol. IUPAC: [4-[(E)-[[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 2-chloro-4,5-difluorobenzoate.
Chemical Property Profile of BAS 00548083
Property Insights of BAS 00548083
The XLogP value of 3.9782 indicates that BAS 00548083 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 159.75 Ų indicates high polarity, suggesting BAS 00548083 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 00548083 has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00548083?
The CAS number of BAS 00548083 is 326905-66-2.
What is the molecular formula of BAS 00548083?
The molecular formula of BAS 00548083 is C26H18ClF2N7O5.
What is the molecular weight of BAS 00548083?
The molecular weight of BAS 00548083 is 581.10 g/mol.
Where can I buy BAS 00548083?
You can request a quote for BAS 00548083 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00548083?
Yes, KEHONG BIO provides custom synthesis services for BAS 00548083 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.