BAS 01816577
TL;DR: BAS 01816577 (CAS 332848-76-7) is a chemical compound with molecular formula C19H17N3O3 and molecular weight 335.13 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-(3,4-dimethoxyphenyl)-3-hydroxybut-2-enenitrile
Also Known As: BAS 01816577, BIM-0043481.P001, 2-(1,3-dihydro-2H-benzimidazol-2-ylidene)-4-(3,4-dimethoxyphenyl)-3-oxobutanenitrile, (2Z)-2-(1H-benzimidazol-2-yl)-4-(3,4-dimethoxyphenyl)-3-hydroxybut-2-enenitrile, 2-(1,3-Dihydro-2H-1,3-benzimidazol-2-ylidene)-4-(3,4-dimethoxyphenyl)-3-oxobutanenitrile
| Molecular Formula | C19H17N3O3 |
|---|---|
| Molecular Weight | 335.13 g/mol |
| LogP | 3.61548 |
| Topological Polar Surface Area | 91.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.12698 |
| Heavy Atoms | 25 |
| Complexity | 949.98816 |
Chemical Identifiers
| CAS Number | 332848-76-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C/C(=C(\C#N)/C2=NC3=CC=CC=C3N2)/O)OC |
Product Overview
BAS 01816577 (CAS 332848-76-7), with molecular formula C19H17N3O3 and molecular weight 335.13 g/mol. IUPAC: (Z)-2-(1H-benzimidazol-2-yl)-4-(3,4-dimethoxyphenyl)-3-hydroxybut-2-enenitrile.
Chemical Property Profile of BAS 01816577
Property Insights of BAS 01816577
The XLogP value of 3.61548 indicates that BAS 01816577 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.16 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01816577. Following Lipinski's Rule of Five, BAS 01816577 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 01816577?
The CAS number of BAS 01816577 is 332848-76-7.
What is the molecular formula of BAS 01816577?
The molecular formula of BAS 01816577 is C19H17N3O3.
What is the molecular weight of BAS 01816577?
The molecular weight of BAS 01816577 is 335.13 g/mol.
Where can I buy BAS 01816577?
You can request a quote for BAS 01816577 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01816577?
Yes, KEHONG BIO provides custom synthesis services for BAS 01816577 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.