BAS 00830858
TL;DR: BAS 00830858 (CAS 310456-52-1) is a chemical compound with molecular formula C20H10ClN3O4S and molecular weight 423.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-2-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
Also Known As: BAS 00830858, AB00083378-01, 2-{[5-(2-chloro-5-nitrophenyl)-2-furyl]methylene}[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one, A0831/0038941, (2Z)-2-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
| Molecular Formula | C20H10ClN3O4S |
|---|---|
| Molecular Weight | 423.01 g/mol |
| LogP | 4.2785 |
| Topological Polar Surface Area | 90.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 423.00806 |
| Heavy Atoms | 29 |
| Complexity | 1532.6847 |
Chemical Identifiers
| CAS Number | 310456-52-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C3N2C(=O)/C(=C/C4=CC=C(O4)C5=C(C=CC(=C5)[N+](=O)[O-])Cl)/S3 |
Product Overview
BAS 00830858 (CAS 310456-52-1), with molecular formula C20H10ClN3O4S and molecular weight 423.01 g/mol. IUPAC: (2Z)-2-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.
Chemical Property Profile of BAS 00830858
Property Insights of BAS 00830858
The XLogP value of 4.2785 indicates that BAS 00830858 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.65 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00830858. Following Lipinski's Rule of Five, BAS 00830858 has 0 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 00830858?
The CAS number of BAS 00830858 is 310456-52-1.
What is the molecular formula of BAS 00830858?
The molecular formula of BAS 00830858 is C20H10ClN3O4S.
What is the molecular weight of BAS 00830858?
The molecular weight of BAS 00830858 is 423.01 g/mol.
Where can I buy BAS 00830858?
You can request a quote for BAS 00830858 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00830858?
Yes, KEHONG BIO provides custom synthesis services for BAS 00830858 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.