BAS 00319800
TL;DR: BAS 00319800 (CAS 330986-83-9) is a chemical compound with molecular formula C25H21N3O3 and molecular weight 411.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-(4-nitrophenyl)prop-2-en-1-imine
Also Known As: BAS 00319800, (E)-N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-(4-nitrophenyl)prop-2-en-1-imine, N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-(4-nitrophenyl)prop-2-en-1-imine
| Molecular Formula | C25H21N3O3 |
|---|---|
| Molecular Weight | 411.16 g/mol |
| LogP | 6.74396 |
| Topological Polar Surface Area | 81.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.1583 |
| Heavy Atoms | 31 |
| Complexity | 1332.3887 |
Chemical Identifiers
| CAS Number | 330986-83-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NC3=CC(=CC(=C3O2)C)C)N=C/C=C/C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
BAS 00319800 (CAS 330986-83-9), with molecular formula C25H21N3O3 and molecular weight 411.16 g/mol. IUPAC: (E)-N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-(4-nitrophenyl)prop-2-en-1-imine.
Chemical Property Profile of BAS 00319800
Property Insights of BAS 00319800
The XLogP value of 6.74396 indicates that BAS 00319800 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.53 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00319800. Following Lipinski's Rule of Five, BAS 00319800 has 0 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 00319800?
The CAS number of BAS 00319800 is 330986-83-9.
What is the molecular formula of BAS 00319800?
The molecular formula of BAS 00319800 is C25H21N3O3.
What is the molecular weight of BAS 00319800?
The molecular weight of BAS 00319800 is 411.16 g/mol.
Where can I buy BAS 00319800?
You can request a quote for BAS 00319800 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00319800?
Yes, KEHONG BIO provides custom synthesis services for BAS 00319800 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.