BAS 01808866
TL;DR: BAS 01808866 (CAS 315205-62-0) is a chemical compound with molecular formula C16H12ClN5O3S and molecular weight 389.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]acetamide
Also Known As: BAS 01808866, (E)-2-((1H-benzo[d]imidazol-2-yl)thio)-N'-(2-chloro-5-nitrobenzylidene)acetohydrazide, 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]acetamide, N-[(1E)-2-(2-chloro-5-nitrophenyl)-1-azavinyl]-2-benzimidazol-2-ylthioacetamid e, 2-(1H-benzimidazol-2-ylsulfanyl)-N'-[(E)-(2-chloro-5-nitrophenyl)methylidene]acetohydrazide
| Molecular Formula | C16H12ClN5O3S |
|---|---|
| Molecular Weight | 389.03 g/mol |
| LogP | 3.3669 |
| Topological Polar Surface Area | 113.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 389.03494 |
| Heavy Atoms | 26 |
| Complexity | 971.4688 |
Chemical Identifiers
| CAS Number | 315205-62-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)SCC(=O)N/N=C/C3=C(C=CC(=C3)[N+](=O)[O-])Cl |
Product Overview
BAS 01808866 (CAS 315205-62-0), with molecular formula C16H12ClN5O3S and molecular weight 389.03 g/mol. IUPAC: 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]acetamide.
Chemical Property Profile of BAS 01808866
Property Insights of BAS 01808866
The XLogP value of 3.3669 indicates that BAS 01808866 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.28 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01808866. Following Lipinski's Rule of Five, BAS 01808866 has 2 hydrogen bond donor(s) and 6 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 01808866?
The CAS number of BAS 01808866 is 315205-62-0.
What is the molecular formula of BAS 01808866?
The molecular formula of BAS 01808866 is C16H12ClN5O3S.
What is the molecular weight of BAS 01808866?
The molecular weight of BAS 01808866 is 389.03 g/mol.
Where can I buy BAS 01808866?
You can request a quote for BAS 01808866 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01808866?
Yes, KEHONG BIO provides custom synthesis services for BAS 01808866 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.