1-chloro-4-(2,3-dihydro-1H-indol-1-yl)-1,1-difluorobut-3-en-2-one
TL;DR: 1-chloro-4-(2,3-dihydro-1H-indol-1-yl)-1,1-difluorobut-3-en-2-one (CAS 478040-82-3) is a chemical compound with molecular formula C12H10ClF2NO and molecular weight 257.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-4-(2,3-dihydroindol-1-yl)-1,1-difluorobut-3-en-2-one
Also Known As: 1-chloro-4-(2,3-dihydro-1H-indol-1-yl)-1,1-difluorobut-3-en-2-one, 1-chloro-4-(2,3-dihydroindol-1-yl)-1,1-difluorobut-3-en-2-one, (E)-1-chloro-4-(2,3-dihydro-1H-indol-1-yl)-1,1-difluoro-3-buten-2-one
| Molecular Formula | C12H10ClF2NO |
|---|---|
| Molecular Weight | 257.04 g/mol |
| LogP | 2.9635 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.0419 |
| Heavy Atoms | 17 |
| Complexity | 467.81857 |
Chemical Identifiers
| CAS Number | 478040-82-3 |
|---|---|
| SMILES | C1CN(C2=CC=CC=C21)C=CC(=O)C(F)(F)Cl |
Product Overview
1-chloro-4-(2,3-dihydro-1H-indol-1-yl)-1,1-difluorobut-3-en-2-one (CAS 478040-82-3), with molecular formula C12H10ClF2NO and molecular weight 257.04 g/mol. IUPAC: 1-chloro-4-(2,3-dihydroindol-1-yl)-1,1-difluorobut-3-en-2-one.
Chemical Property Profile of 1-chloro-4-(2,3-dihydro-1H-indol-1-yl)-1,1-difluorobut-3-en-2-one
Property Insights of 1-chloro-4-(2,3-dihydro-1H-indol-1-yl)-1,1-difluorobut-3-en-2-one
The XLogP value of 2.9635 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-chloro-4-(2,3-dihydro-1H-indol-1-yl)-1,1-difluorobut-3-en-2-one. With a topological polar surface area (TPSA) of 20.31 Ų, 1-chloro-4-(2,3-dihydro-1H-indol-1-yl)-1,1-difluorobut-3-en-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-chloro-4-(2,3-dihydro-1H-indol-1-yl)-1,1-difluorobut-3-en-2-one has 0 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 1-chloro-4-(2,3-dihydro-1H-indol-1-yl)-1,1-difluorobut-3-en-2-one?
The CAS number of 1-chloro-4-(2,3-dihydro-1H-indol-1-yl)-1,1-difluorobut-3-en-2-one is 478040-82-3.
What is the molecular formula of 1-chloro-4-(2,3-dihydro-1H-indol-1-yl)-1,1-difluorobut-3-en-2-one?
The molecular formula of 1-chloro-4-(2,3-dihydro-1H-indol-1-yl)-1,1-difluorobut-3-en-2-one is C12H10ClF2NO.
What is the molecular weight of 1-chloro-4-(2,3-dihydro-1H-indol-1-yl)-1,1-difluorobut-3-en-2-one?
The molecular weight of 1-chloro-4-(2,3-dihydro-1H-indol-1-yl)-1,1-difluorobut-3-en-2-one is 257.04 g/mol.
Where can I buy 1-chloro-4-(2,3-dihydro-1H-indol-1-yl)-1,1-difluorobut-3-en-2-one?
You can request a quote for 1-chloro-4-(2,3-dihydro-1H-indol-1-yl)-1,1-difluorobut-3-en-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-chloro-4-(2,3-dihydro-1H-indol-1-yl)-1,1-difluorobut-3-en-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-chloro-4-(2,3-dihydro-1H-indol-1-yl)-1,1-difluorobut-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.