BAS 01816588
TL;DR: BAS 01816588 (CAS 332848-80-3) is a chemical compound with molecular formula C19H12N4O3 and molecular weight 344.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-2-(1H-benzimidazol-2-yl)-4-(1,3-dioxoisoindol-2-yl)-3-hydroxybut-2-enenitrile
Also Known As: BAS 01816588, BIM-0043917.P001, 2-(1,3-dihydro-2H-benzimidazol-2-ylidene)-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-oxobutanenitrile, 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(1,3-dioxoisoindol-2-yl)-3-oxobutanenitrile, (2Z)-2-(1H-benzimidazol-2-yl)-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-hydroxybut-2-enenitrile
| Molecular Formula | C19H12N4O3 |
|---|---|
| Molecular Weight | 344.09 g/mol |
| LogP | 2.65178 |
| Topological Polar Surface Area | 110.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 344.09094 |
| Heavy Atoms | 26 |
| Complexity | 1068.8918 |
Chemical Identifiers
| CAS Number | 332848-80-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)C/C(=C(\C#N)/C3=NC4=CC=CC=C4N3)/O |
Product Overview
BAS 01816588 (CAS 332848-80-3), with molecular formula C19H12N4O3 and molecular weight 344.09 g/mol. IUPAC: (Z)-2-(1H-benzimidazol-2-yl)-4-(1,3-dioxoisoindol-2-yl)-3-hydroxybut-2-enenitrile.
Chemical Property Profile of BAS 01816588
Property Insights of BAS 01816588
The XLogP value of 2.65178 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01816588. The TPSA of 110.08 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01816588. Following Lipinski's Rule of Five, BAS 01816588 has 2 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 01816588?
The CAS number of BAS 01816588 is 332848-80-3.
What is the molecular formula of BAS 01816588?
The molecular formula of BAS 01816588 is C19H12N4O3.
What is the molecular weight of BAS 01816588?
The molecular weight of BAS 01816588 is 344.09 g/mol.
Where can I buy BAS 01816588?
You can request a quote for BAS 01816588 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01816588?
Yes, KEHONG BIO provides custom synthesis services for BAS 01816588 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.