BAS 00536155
TL;DR: BAS 00536155 (CAS 118890-16-7) is a chemical compound with molecular formula C16H12ClN3O2S and molecular weight 345.03 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)-(4-chlorophenyl)methylideneamino]acetamide
Also Known As: BAS 00536155, (Benzooxazol-2-ylsulfanyl)-acetic acid (4-chloro-benzylidene)-hydrazide, (E)-2-(benzo[d]oxazol-2-ylthio)-N'-(4-chlorobenzylidene)acetohydrazide, N-[(1E)-2-(4-chlorophenyl)-1-azavinyl]-2-benzoxazol-2-ylthioacetamide, 2-(1,3-benzoxazol-2-ylsulfanyl)-N'-[(E)-(4-chlorophenyl)methylidene]acetohydrazide
| Molecular Formula | C16H12ClN3O2S |
|---|---|
| Molecular Weight | 345.03 g/mol |
| LogP | 3.7236 |
| Topological Polar Surface Area | 67.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 345.03387 |
| Heavy Atoms | 23 |
| Complexity | 812.9125 |
Chemical Identifiers
| CAS Number | 118890-16-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(O2)SCC(=O)N/N=C/C3=CC=C(C=C3)Cl |
Product Overview
BAS 00536155 (CAS 118890-16-7), with molecular formula C16H12ClN3O2S and molecular weight 345.03 g/mol. IUPAC: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(E)-(4-chlorophenyl)methylideneamino]acetamide.
Chemical Property Profile of BAS 00536155
Property Insights of BAS 00536155
The XLogP value of 3.7236 indicates that BAS 00536155 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.49 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00536155. Following Lipinski's Rule of Five, BAS 00536155 has 1 hydrogen bond donor(s) and 5 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 00536155?
The CAS number of BAS 00536155 is 118890-16-7.
What is the molecular formula of BAS 00536155?
The molecular formula of BAS 00536155 is C16H12ClN3O2S.
What is the molecular weight of BAS 00536155?
The molecular weight of BAS 00536155 is 345.03 g/mol.
Where can I buy BAS 00536155?
You can request a quote for BAS 00536155 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00536155?
Yes, KEHONG BIO provides custom synthesis services for BAS 00536155 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.