BAS 06995256
TL;DR: BAS 06995256 (CAS 443981-47-3) is a chemical compound with molecular formula C21H17N5 and molecular weight 339.15 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-(2,5-dimethyl-1-pyridin-4-ylpyrrol-3-yl)prop-2-enenitrile
Also Known As: BAS 06995256, (2E)-2-(1H-benzimidazol-2-yl)-3-[2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]prop-2-enenitrile, (E)-2-(1H-benzimidazol-2-yl)-3-(2,5-dimethyl-1-pyridin-4-ylpyrrol-3-yl)prop-2-enenitrile, (E)-2-(1H-benzo[d]imidazol-2-yl)-3-(2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl)acrylonitrile
| Molecular Formula | C21H17N5 |
|---|---|
| Molecular Weight | 339.15 g/mol |
| LogP | 4.42962 |
| Topological Polar Surface Area | 70.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 339.1484 |
| Heavy Atoms | 26 |
| Complexity | 1123.3052 |
Chemical Identifiers
| CAS Number | 443981-47-3 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=NC=C2)C)/C=C(\C#N)/C3=NC4=CC=CC=C4N3 |
Product Overview
BAS 06995256 (CAS 443981-47-3), with molecular formula C21H17N5 and molecular weight 339.15 g/mol. IUPAC: (E)-2-(1H-benzimidazol-2-yl)-3-(2,5-dimethyl-1-pyridin-4-ylpyrrol-3-yl)prop-2-enenitrile.
Chemical Property Profile of BAS 06995256
Property Insights of BAS 06995256
The XLogP value of 4.42962 indicates that BAS 06995256 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.29 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06995256. Following Lipinski's Rule of Five, BAS 06995256 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 06995256?
The CAS number of BAS 06995256 is 443981-47-3.
What is the molecular formula of BAS 06995256?
The molecular formula of BAS 06995256 is C21H17N5.
What is the molecular weight of BAS 06995256?
The molecular weight of BAS 06995256 is 339.15 g/mol.
Where can I buy BAS 06995256?
You can request a quote for BAS 06995256 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06995256?
Yes, KEHONG BIO provides custom synthesis services for BAS 06995256 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.