BAS 00620459
TL;DR: BAS 00620459 (CAS 5630-05-7) is a chemical compound with molecular formula C18H15N3 and molecular weight 273.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(6-methyl-1H-benzimidazol-2-yl)-3-(4-methylphenyl)prop-2-enenitrile
Also Known As: BAS 00620459, 2-(6-methyl-1H-benzimidazol-2-yl)-3-(4-methylphenyl)acrylonitrile, (E)-2-(6-methyl-1H-benzimidazol-2-yl)-3-(4-methylphenyl)prop-2-enenitrile, (2E)-2-(6-methyl-1H-benzimidazol-2-yl)-3-(4-methylphenyl)prop-2-enenitrile, 2-(5-Methyl-1H-benzoimidazol-2-yl)-3-p-tolyl-acrylonitrile
| Molecular Formula | C18H15N3 |
|---|---|
| Molecular Weight | 273.13 g/mol |
| LogP | 4.24392 |
| Topological Polar Surface Area | 52.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 273.1266 |
| Heavy Atoms | 21 |
| Complexity | 861.61 |
Chemical Identifiers
| CAS Number | 5630-05-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C=C(\C#N)/C2=NC3=C(N2)C=C(C=C3)C |
Product Overview
BAS 00620459 (CAS 5630-05-7), with molecular formula C18H15N3 and molecular weight 273.13 g/mol. IUPAC: (E)-2-(6-methyl-1H-benzimidazol-2-yl)-3-(4-methylphenyl)prop-2-enenitrile.
Chemical Property Profile of BAS 00620459
Property Insights of BAS 00620459
The XLogP value of 4.24392 indicates that BAS 00620459 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.47 Ų, BAS 00620459 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00620459 has 1 hydrogen bond donor(s) and 2 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 00620459?
The CAS number of BAS 00620459 is 5630-05-7.
What is the molecular formula of BAS 00620459?
The molecular formula of BAS 00620459 is C18H15N3.
What is the molecular weight of BAS 00620459?
The molecular weight of BAS 00620459 is 273.13 g/mol.
Where can I buy BAS 00620459?
You can request a quote for BAS 00620459 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00620459?
Yes, KEHONG BIO provides custom synthesis services for BAS 00620459 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.