BAS 00329878
TL;DR: BAS 00329878 (CAS 5844-16-6) is a chemical compound with molecular formula C31H28N2O7 and molecular weight 540.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[[[2-(4-phenylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3,4,5-trimethoxybenzoate
Also Known As: BAS 00329878, [3-[[[2-(4-phenylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3,4,5-trimethoxybenzoate, 3-[(2-{[([1,1'-Biphenyl]-4-yl)oxy]acetyl}hydrazinylidene)methyl]phenyl 3,4,5-trimethoxybenzoate, Ammonium, [4-[bis[p-(dimethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]ethyl(m-sulfobenzyl)-, hydroxide, inner salt, Benzenemethanaminium, N-[4-[bis[4-(dimethylamino)phenyl]methyl]-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfo-, hydroxide, inner salt
| Molecular Formula | C31H28N2O7 |
|---|---|
| Molecular Weight | 540.19 g/mol |
| LogP | 5.1277 |
| Topological Polar Surface Area | 104.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 540.18964 |
| Heavy Atoms | 40 |
| Complexity | 1460.5599 |
Chemical Identifiers
| CAS Number | 5844-16-6 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)OC2=CC=CC(=C2)C=NNC(=O)COC3=CC=C(C=C3)C4=CC=CC=C4 |
Product Overview
BAS 00329878 (CAS 5844-16-6), with molecular formula C31H28N2O7 and molecular weight 540.19 g/mol. IUPAC: [3-[[[2-(4-phenylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3,4,5-trimethoxybenzoate.
Chemical Property Profile of BAS 00329878
Property Insights of BAS 00329878
The XLogP value of 5.1277 indicates that BAS 00329878 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.68 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00329878. Following Lipinski's Rule of Five, BAS 00329878 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00329878?
The CAS number of BAS 00329878 is 5844-16-6.
What is the molecular formula of BAS 00329878?
The molecular formula of BAS 00329878 is C31H28N2O7.
What is the molecular weight of BAS 00329878?
The molecular weight of BAS 00329878 is 540.19 g/mol.
Where can I buy BAS 00329878?
You can request a quote for BAS 00329878 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00329878?
Yes, KEHONG BIO provides custom synthesis services for BAS 00329878 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.