Borreline
TL;DR: Borreline (CAS 64643-94-3) is a chemical compound with molecular formula C17H18N2O and molecular weight 266.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3R)-3-ethenyl-3,5-dimethyl-2,4-dihydropyrrol-2-yl]-(1H-indol-3-yl)methanone
Also Known As: BORRELINE, J2.767.853J, [(2S,3R)-3-ethenyl-3,5-dimethyl-2,4-dihydropyrrol-2-yl]-(1H-indol-3-yl)methanone, [(2S,3R)-3,5-dimethyl-3-vinyl-2,4-dihydropyrrol-2-yl]-(1H-indol-3-yl)methanone, [(2S,3R)-3-Ethenyl-3,5-dimethyl-3,4-dihydro-2H-pyrrol-2-yl](1H-indol-3-yl)methanone
| Molecular Formula | C17H18N2O |
|---|---|
| Molecular Weight | 266.14 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 45.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.1419 |
| Heavy Atoms | 20 |
| Complexity | 456.0 |
Chemical Identifiers
| CAS Number | 64643-94-3 |
|---|---|
| SMILES | CC1=N[C@@H]([C@@](C1)(C)C=C)C(=O)C2=CNC3=CC=CC=C32 |
| InChIKey | WQTYIKZACFUZJB-SJORKVTESA-N |
Product Overview
Borreline (CAS 64643-94-3), with molecular formula C17H18N2O and molecular weight 266.14 g/mol. IUPAC: [(2S,3R)-3-ethenyl-3,5-dimethyl-2,4-dihydropyrrol-2-yl]-(1H-indol-3-yl)methanone.
Chemical Property Profile of Borreline
Property Insights of Borreline
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Borreline. With a topological polar surface area (TPSA) of 45.2 Ų, Borreline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Borreline 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 Borreline?
The CAS number of Borreline is 64643-94-3.
What is the molecular formula of Borreline?
The molecular formula of Borreline is C17H18N2O.
What is the molecular weight of Borreline?
The molecular weight of Borreline is 266.14 g/mol.
Where can I buy Borreline?
You can request a quote for Borreline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Borreline?
Yes, KEHONG BIO provides custom synthesis services for Borreline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.