BAS 00706604
TL;DR: BAS 00706604 (CAS 327052-94-8) is a chemical compound with molecular formula C23H19N3O5 and molecular weight 417.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-4-methyl-3-nitrobenzamide
Also Known As: BAS 00706604, N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-4-methyl-3-nitrobenzamide, N-(3-(5,6-dimethylbenzo[d]oxazol-2-yl)-4-hydroxyphenyl)-4-methyl-3-nitrobenzamide, N-[3-(5,6-dimethylbenzoxazol-2-yl)-4-hydroxyphenyl](4-methyl-3-nitrophenyl)car boxamide, N-[(3E)-3-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]-4-methyl-3-nitrobenzamide
| Molecular Formula | C23H19N3O5 |
|---|---|
| Molecular Weight | 417.13 g/mol |
| LogP | 5.28616 |
| Topological Polar Surface Area | 118.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 417.13248 |
| Heavy Atoms | 31 |
| Complexity | 1318.0835 |
Chemical Identifiers
| CAS Number | 327052-94-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)O)C3=NC4=C(O3)C=C(C(=C4)C)C)[N+](=O)[O-] |
Product Overview
BAS 00706604 (CAS 327052-94-8), with molecular formula C23H19N3O5 and molecular weight 417.13 g/mol. IUPAC: N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-4-methyl-3-nitrobenzamide.
Chemical Property Profile of BAS 00706604
Property Insights of BAS 00706604
The XLogP value of 5.28616 indicates that BAS 00706604 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.5 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00706604. Following Lipinski's Rule of Five, BAS 00706604 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00706604?
The CAS number of BAS 00706604 is 327052-94-8.
What is the molecular formula of BAS 00706604?
The molecular formula of BAS 00706604 is C23H19N3O5.
What is the molecular weight of BAS 00706604?
The molecular weight of BAS 00706604 is 417.13 g/mol.
Where can I buy BAS 00706604?
You can request a quote for BAS 00706604 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00706604?
Yes, KEHONG BIO provides custom synthesis services for BAS 00706604 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.