BAS 00381944
TL;DR: BAS 00381944 (CAS 331277-45-3) is a chemical compound with molecular formula C23H20N4O5 and molecular weight 432.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3-nitrophenyl)-2-oxoethyl] 2-[[4-(dimethylamino)phenyl]diazenyl]benzoate
Also Known As: BAS 00381944, Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-, 2-(3-nitrophenyl)-2-oxoethyl ester, [2-(3-nitrophenyl)-2-oxoethyl] 2-[(4-dimethylaminophenyl)diazenyl]benzoate, 2-{3-nitrophenyl}-2-oxoethyl 2-{[4-(dimethylamino)phenyl]diazenyl}benzoate, 2-(4-Dimethylamino-phenylazo)-benzoic acid 2-(3-nitro-phenyl)-2-oxo-ethyl ester
| Molecular Formula | C23H20N4O5 |
|---|---|
| Molecular Weight | 432.14 g/mol |
| LogP | 5.1159 |
| Topological Polar Surface Area | 114.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 432.14337 |
| Heavy Atoms | 32 |
| Complexity | 1173.014 |
Chemical Identifiers
| CAS Number | 331277-45-3 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)N=NC2=CC=CC=C2C(=O)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
BAS 00381944 (CAS 331277-45-3), with molecular formula C23H20N4O5 and molecular weight 432.14 g/mol. IUPAC: [2-(3-nitrophenyl)-2-oxoethyl] 2-[[4-(dimethylamino)phenyl]diazenyl]benzoate.
Chemical Property Profile of BAS 00381944
Property Insights of BAS 00381944
The XLogP value of 5.1159 indicates that BAS 00381944 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.47 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00381944. Following Lipinski's Rule of Five, BAS 00381944 has 0 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 00381944?
The CAS number of BAS 00381944 is 331277-45-3.
What is the molecular formula of BAS 00381944?
The molecular formula of BAS 00381944 is C23H20N4O5.
What is the molecular weight of BAS 00381944?
The molecular weight of BAS 00381944 is 432.14 g/mol.
Where can I buy BAS 00381944?
You can request a quote for BAS 00381944 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00381944?
Yes, KEHONG BIO provides custom synthesis services for BAS 00381944 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.