1-Propyne, 1-bromo-3,3,3-trifluoro-
TL;DR: 1-Propyne, 1-bromo-3,3,3-trifluoro- (CAS 819-01-2) is a chemical compound with molecular formula C(#CBr)C(F)(F)F and molecular weight 171.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-3,3,3-trifluoroprop-1-yne
Also Known As: 1-Propyne, 1-bromo-3,3,3-trifluoro-, 1-bromo-3,3,3-trifluoroprop-1-yne
| Molecular Formula | C(#CBr)C(F)(F)F |
|---|---|
| Molecular Weight | 171.91 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 171.91354 |
| Heavy Atoms | 7 |
| Complexity | 111.0 |
Chemical Identifiers
| CAS Number | 819-01-2 |
|---|---|
| SMILES | C(#CBr)C(F)(F)F |
| InChIKey | AJZDHGUIYOQGDJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Propyne, 1-bromo-3,3,3-trifluoro- (CAS 819-01-2), with molecular formula C(#CBr)C(F)(F)F and molecular weight 171.91 g/mol. IUPAC: 1-bromo-3,3,3-trifluoroprop-1-yne.
Chemical Property Profile of 1-Propyne, 1-bromo-3,3,3-trifluoro-
Property Insights of 1-Propyne, 1-bromo-3,3,3-trifluoro-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Propyne, 1-bromo-3,3,3-trifluoro-. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Propyne, 1-bromo-3,3,3-trifluoro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Propyne, 1-bromo-3,3,3-trifluoro- has 0 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 1-Propyne, 1-bromo-3,3,3-trifluoro-?
The CAS number of 1-Propyne, 1-bromo-3,3,3-trifluoro- is 819-01-2.
What is the molecular formula of 1-Propyne, 1-bromo-3,3,3-trifluoro-?
The molecular formula of 1-Propyne, 1-bromo-3,3,3-trifluoro- is C(#CBr)C(F)(F)F.
What is the molecular weight of 1-Propyne, 1-bromo-3,3,3-trifluoro-?
The molecular weight of 1-Propyne, 1-bromo-3,3,3-trifluoro- is 171.91 g/mol.
Where can I buy 1-Propyne, 1-bromo-3,3,3-trifluoro-?
You can request a quote for 1-Propyne, 1-bromo-3,3,3-trifluoro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Propyne, 1-bromo-3,3,3-trifluoro-?
Yes, KEHONG BIO provides custom synthesis services for 1-Propyne, 1-bromo-3,3,3-trifluoro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.