BAS 06042461
TL;DR: BAS 06042461 (CAS 597544-98-4) is a chemical compound with molecular formula C18H13N3O3 and molecular weight 319.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(1H-benzimidazol-2-yl)-3-(6-methoxy-1,3-benzodioxol-5-yl)prop-2-enenitrile
Also Known As: BAS 06042461, (2E)-2-(1H-benzimidazol-2-yl)-3-(6-methoxy-1,3-benzodioxol-5-yl)prop-2-enenitrile, (E)-2-(1H-benzo[d]imidazol-2-yl)-3-(6-methoxybenzo[d][1,3]dioxol-5-yl)acrylonitrile, (2E)-2-benzimidazol-2-yl-3-(6-methoxy(2H-benzo[d]1,3-dioxolen-5-yl))prop-2-ene nitrile, (E)-2-(1H-benzimidazol-2-yl)-3-(6-methoxy-1,3-benzodioxol-5-yl)prop-2-enenitrile
| Molecular Formula | C18H13N3O3 |
|---|---|
| Molecular Weight | 319.10 g/mol |
| LogP | 3.36438 |
| Topological Polar Surface Area | 80.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 319.0957 |
| Heavy Atoms | 24 |
| Complexity | 965.4019 |
Chemical Identifiers
| CAS Number | 597544-98-4 |
|---|---|
| SMILES | COC1=CC2=C(C=C1/C=C(\C#N)/C3=NC4=CC=CC=C4N3)OCO2 |
Product Overview
BAS 06042461 (CAS 597544-98-4), with molecular formula C18H13N3O3 and molecular weight 319.10 g/mol. IUPAC: (E)-2-(1H-benzimidazol-2-yl)-3-(6-methoxy-1,3-benzodioxol-5-yl)prop-2-enenitrile.
Chemical Property Profile of BAS 06042461
Property Insights of BAS 06042461
The XLogP value of 3.36438 indicates that BAS 06042461 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.16 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06042461. Following Lipinski's Rule of Five, BAS 06042461 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 06042461?
The CAS number of BAS 06042461 is 597544-98-4.
What is the molecular formula of BAS 06042461?
The molecular formula of BAS 06042461 is C18H13N3O3.
What is the molecular weight of BAS 06042461?
The molecular weight of BAS 06042461 is 319.10 g/mol.
Where can I buy BAS 06042461?
You can request a quote for BAS 06042461 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06042461?
Yes, KEHONG BIO provides custom synthesis services for BAS 06042461 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.