BAS 00073398
TL;DR: BAS 00073398 (CAS 478910-50-8) is a chemical compound with molecular formula C22H24N6O6 and molecular weight 468.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[N-(2-cyanoethyl)-4-[(2,4,6-trimethyl-3,5-dinitrophenyl)diazenyl]anilino]ethyl acetate
Also Known As: BAS 00073398, Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[2-(2,4,6-trimethyl-3,5-dinitrophenyl)diazenyl]phenyl]amino]-, 2-[N-(2-cyanoethyl)-4-[(2,4,6-trimethyl-3,5-dinitrophenyl)diazenyl]anilino]ethyl acetate
| Molecular Formula | C22H24N6O6 |
|---|---|
| Molecular Weight | 468.18 g/mol |
| LogP | 5.12684 |
| Topological Polar Surface Area | 164.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 468.17572 |
| Heavy Atoms | 34 |
| Complexity | 1128.883 |
Chemical Identifiers
| CAS Number | 478910-50-8 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1[N+](=O)[O-])C)[N+](=O)[O-])C)N=NC2=CC=C(C=C2)N(CCC#N)CCOC(=O)C |
Product Overview
BAS 00073398 (CAS 478910-50-8), with molecular formula C22H24N6O6 and molecular weight 468.18 g/mol. IUPAC: 2-[N-(2-cyanoethyl)-4-[(2,4,6-trimethyl-3,5-dinitrophenyl)diazenyl]anilino]ethyl acetate.
Chemical Property Profile of BAS 00073398
Property Insights of BAS 00073398
The XLogP value of 5.12684 indicates that BAS 00073398 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 164.33 Ų indicates high polarity, suggesting BAS 00073398 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 00073398 has 0 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 00073398?
The CAS number of BAS 00073398 is 478910-50-8.
What is the molecular formula of BAS 00073398?
The molecular formula of BAS 00073398 is C22H24N6O6.
What is the molecular weight of BAS 00073398?
The molecular weight of BAS 00073398 is 468.18 g/mol.
Where can I buy BAS 00073398?
You can request a quote for BAS 00073398 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00073398?
Yes, KEHONG BIO provides custom synthesis services for BAS 00073398 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.