BAS 02890549
TL;DR: BAS 02890549 (CAS 444657-45-8) is a chemical compound with molecular formula C21H16N4O and molecular weight 340.13 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-[1-(4-methoxyphenyl)pyrrol-2-yl]prop-2-enenitrile
Also Known As: BAS 02890549, (2E)-2-(1H-benzimidazol-2-yl)-3-[1-(4-methoxyphenyl)-1H-pyrrol-2-yl]prop-2-enenitrile, (E)-2-(1H-benzo[d]imidazol-2-yl)-3-(1-(4-methoxyphenyl)-1H-pyrrol-2-yl)acrylonitrile, (E)-2-(1H-benzimidazol-2-yl)-3-[1-(4-methoxyphenyl)pyrrol-2-yl]prop-2-enenitrile, (2E)-2-(1H-1,3-BENZODIAZOL-2-YL)-3-[1-(4-METHOXYPHENYL)-1H-PYRROL-2-YL]PROP-2-ENENITRILE
| Molecular Formula | C21H16N4O |
|---|---|
| Molecular Weight | 340.13 g/mol |
| LogP | 4.42638 |
| Topological Polar Surface Area | 66.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 340.13242 |
| Heavy Atoms | 26 |
| Complexity | 1093.7501 |
Chemical Identifiers
| CAS Number | 444657-45-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C=CC=C2/C=C(\C#N)/C3=NC4=CC=CC=C4N3 |
Product Overview
BAS 02890549 (CAS 444657-45-8), with molecular formula C21H16N4O and molecular weight 340.13 g/mol. IUPAC: (E)-2-(1H-benzimidazol-2-yl)-3-[1-(4-methoxyphenyl)pyrrol-2-yl]prop-2-enenitrile.
Chemical Property Profile of BAS 02890549
Property Insights of BAS 02890549
The XLogP value of 4.42638 indicates that BAS 02890549 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.63 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02890549. Following Lipinski's Rule of Five, BAS 02890549 has 1 hydrogen bond donor(s) and 3 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 02890549?
The CAS number of BAS 02890549 is 444657-45-8.
What is the molecular formula of BAS 02890549?
The molecular formula of BAS 02890549 is C21H16N4O.
What is the molecular weight of BAS 02890549?
The molecular weight of BAS 02890549 is 340.13 g/mol.
Where can I buy BAS 02890549?
You can request a quote for BAS 02890549 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02890549?
Yes, KEHONG BIO provides custom synthesis services for BAS 02890549 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.