BAS 00394770
TL;DR: BAS 00394770 (CAS 331669-35-3) is a chemical compound with molecular formula C26H23Cl2N3O4 and molecular weight 511.11 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] 2,4-dichlorobenzoate
Also Known As: BAS 00394770, 2-(2-{4-[(2,2-dimethylpropanoyl)amino]benzoyl}carbohydrazonoyl)phenyl 2,4-dichlorobenzoate, [2-[(E)-[[4-(2,2-dimethylpropanoylamino)benzoyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate, 2,4-Dichloro-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 2,4-dichlorobenzoate
| Molecular Formula | C26H23Cl2N3O4 |
|---|---|
| Molecular Weight | 511.11 g/mol |
| LogP | 5.9611 |
| Topological Polar Surface Area | 96.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 511.10657 |
| Heavy Atoms | 35 |
| Complexity | 1282.4995 |
Chemical Identifiers
| CAS Number | 331669-35-3 |
|---|---|
| SMILES | CC(C)(C)C(=O)NC1=CC=C(C=C1)C(=O)N/N=C/C2=CC=CC=C2OC(=O)C3=C(C=C(C=C3)Cl)Cl |
Product Overview
BAS 00394770 (CAS 331669-35-3), with molecular formula C26H23Cl2N3O4 and molecular weight 511.11 g/mol. IUPAC: [2-[(E)-[[4-(2,2-dimethylpropanoylamino)benzoyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate.
Chemical Property Profile of BAS 00394770
Property Insights of BAS 00394770
The XLogP value of 5.9611 indicates that BAS 00394770 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 00394770. Following Lipinski's Rule of Five, BAS 00394770 has 2 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 00394770?
The CAS number of BAS 00394770 is 331669-35-3.
What is the molecular formula of BAS 00394770?
The molecular formula of BAS 00394770 is C26H23Cl2N3O4.
What is the molecular weight of BAS 00394770?
The molecular weight of BAS 00394770 is 511.11 g/mol.
Where can I buy BAS 00394770?
You can request a quote for BAS 00394770 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00394770?
Yes, KEHONG BIO provides custom synthesis services for BAS 00394770 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.