BAS 00791757
TL;DR: BAS 00791757 (CAS 5677-04-3) is a chemical compound with molecular formula C28H23N3O and molecular weight 417.18 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-phenylpyrrol-3-yl)-1-phenylprop-2-en-1-one
Also Known As: BAS 00791757, BIM-0027808.P001, 2-(1H-benzimidazol-2-yl)-3-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-1-phenyl-2-propen-1-one, (E)-2-(1H-benzimidazol-2-yl)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1-phenylprop-2-en-1-one, (2E)-2-benzimidazol-2-yl-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1-phenylprop-2-e n-1-one
| Molecular Formula | C28H23N3O |
|---|---|
| Molecular Weight | 417.18 g/mol |
| LogP | 6.39394 |
| Topological Polar Surface Area | 50.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.1841 |
| Heavy Atoms | 32 |
| Complexity | 1407.3773 |
Chemical Identifiers
| CAS Number | 5677-04-3 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=CC=C2)C)/C=C(\C3=NC4=CC=CC=C4N3)/C(=O)C5=CC=CC=C5 |
Product Overview
BAS 00791757 (CAS 5677-04-3), with molecular formula C28H23N3O and molecular weight 417.18 g/mol. IUPAC: (E)-2-(1H-benzimidazol-2-yl)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1-phenylprop-2-en-1-one.
Chemical Property Profile of BAS 00791757
Property Insights of BAS 00791757
The XLogP value of 6.39394 indicates that BAS 00791757 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.68 Ų, BAS 00791757 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00791757 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00791757?
The CAS number of BAS 00791757 is 5677-04-3.
What is the molecular formula of BAS 00791757?
The molecular formula of BAS 00791757 is C28H23N3O.
What is the molecular weight of BAS 00791757?
The molecular weight of BAS 00791757 is 417.18 g/mol.
Where can I buy BAS 00791757?
You can request a quote for BAS 00791757 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00791757?
Yes, KEHONG BIO provides custom synthesis services for BAS 00791757 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.