BAS 00394781
TL;DR: BAS 00394781 (CAS 331669-36-4) is a chemical compound with molecular formula C27H27N3O4 and molecular weight 457.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(E)-[[4-(2,2-dimethylpropanoylamino)benzoyl]hydrazinylidene]methyl]phenyl] 3-methylbenzoate
Also Known As: BAS 00394781, 2-(2-{4-[(2,2-dimethylpropanoyl)amino]benzoyl}carbohydrazonoyl)phenyl 3-methylbenzoate, [2-[(E)-[[4-(2,2-dimethylpropanoylamino)benzoyl]hydrazinylidene]methyl]phenyl] 3-methylbenzoate, 3-Methyl-benzoic acid 2-{[4-(2,2-dimethyl-propionylamino)-benzoyl]-hydrazonomethyl}-phenyl ester, 2-((1E)-2-{[4-(2,2-dimethylpropanoylamino)phenyl]carbonylamino}-2-azavinyl)phe nyl 3-methylbenzoate
| Molecular Formula | C27H27N3O4 |
|---|---|
| Molecular Weight | 457.20 g/mol |
| LogP | 4.96272 |
| Topological Polar Surface Area | 96.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 457.20016 |
| Heavy Atoms | 34 |
| Complexity | 1225.1227 |
Chemical Identifiers
| CAS Number | 331669-36-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)OC2=CC=CC=C2/C=N/NC(=O)C3=CC=C(C=C3)NC(=O)C(C)(C)C |
Product Overview
BAS 00394781 (CAS 331669-36-4), with molecular formula C27H27N3O4 and molecular weight 457.20 g/mol. IUPAC: [2-[(E)-[[4-(2,2-dimethylpropanoylamino)benzoyl]hydrazinylidene]methyl]phenyl] 3-methylbenzoate.
Chemical Property Profile of BAS 00394781
Property Insights of BAS 00394781
The XLogP value of 4.96272 indicates that BAS 00394781 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.86 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00394781. Following Lipinski's Rule of Five, BAS 00394781 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00394781?
The CAS number of BAS 00394781 is 331669-36-4.
What is the molecular formula of BAS 00394781?
The molecular formula of BAS 00394781 is C27H27N3O4.
What is the molecular weight of BAS 00394781?
The molecular weight of BAS 00394781 is 457.20 g/mol.
Where can I buy BAS 00394781?
You can request a quote for BAS 00394781 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00394781?
Yes, KEHONG BIO provides custom synthesis services for BAS 00394781 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.