BAS 00672063
TL;DR: BAS 00672063 (CAS 159278-91-8) is a chemical compound with molecular formula C16H12N4O4S and molecular weight 356.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide
Also Known As: BAS 00672063, (Benzooxazol-2-ylsulfanyl)-acetic acid (2-nitro-benzylidene)-hydrazide, (E)-2-(benzo[d]oxazol-2-ylthio)-N'-(2-nitrobenzylidene)acetohydrazide, 2-(1,3-benzoxazol-2-ylsulfanyl)-N'-{2-nitrobenzylidene}acetohydrazide, N-[(1E)-2-(2-nitrophenyl)-1-azavinyl]-2-benzoxazol-2-ylthioacetamide
| Molecular Formula | C16H12N4O4S |
|---|---|
| Molecular Weight | 356.06 g/mol |
| LogP | 2.9784 |
| Topological Polar Surface Area | 110.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 356.05792 |
| Heavy Atoms | 25 |
| Complexity | 920.9675 |
Chemical Identifiers
| CAS Number | 159278-91-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)/C=N/NC(=O)CSC2=NC3=CC=CC=C3O2)[N+](=O)[O-] |
Product Overview
BAS 00672063 (CAS 159278-91-8), with molecular formula C16H12N4O4S and molecular weight 356.06 g/mol. IUPAC: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide.
Chemical Property Profile of BAS 00672063
Property Insights of BAS 00672063
The XLogP value of 2.9784 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00672063. The TPSA of 110.63 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00672063. Following Lipinski's Rule of Five, BAS 00672063 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00672063?
The CAS number of BAS 00672063 is 159278-91-8.
What is the molecular formula of BAS 00672063?
The molecular formula of BAS 00672063 is C16H12N4O4S.
What is the molecular weight of BAS 00672063?
The molecular weight of BAS 00672063 is 356.06 g/mol.
Where can I buy BAS 00672063?
You can request a quote for BAS 00672063 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00672063?
Yes, KEHONG BIO provides custom synthesis services for BAS 00672063 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.