3-Di-N-Propylamino-1-Propyne
TL;DR: 3-Di-N-Propylamino-1-Propyne (CAS 257295-47-9) is a chemical compound with molecular formula C14H12ClF3N2O and molecular weight 316.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1-[1-(trifluoromethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanone
Also Known As: 3-Di-N-Propylamino-1-Propyne, 2-chloro-1-[1-(trifluoromethyl)-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl]ethan-1-one, 2-chloro-1-[1-(trifluoromethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanone, 2-(Chloroacetyl)-1-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-beta-carboline #, 2-Chloro-1-[1-(Trifluoromethyl)-1,3,4,9-Tetrahydro-2H-beta-Carbolin-2-Yl]Ethanone
| Molecular Formula | C14H12ClF3N2O |
|---|---|
| Molecular Weight | 316.06 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 36.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 316.05902 |
| Heavy Atoms | 21 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 257295-47-9 |
|---|---|
| SMILES | C1CN(C(C2=C1C3=CC=CC=C3N2)C(F)(F)F)C(=O)CCl |
| InChIKey | WCIRWWWNBGZXQH-UHFFFAOYSA-N |
Product Overview
3-Di-N-Propylamino-1-Propyne (CAS 257295-47-9), with molecular formula C14H12ClF3N2O and molecular weight 316.06 g/mol. IUPAC: 2-chloro-1-[1-(trifluoromethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanone.
Chemical Property Profile of 3-Di-N-Propylamino-1-Propyne
Property Insights of 3-Di-N-Propylamino-1-Propyne
The XLogP value of 3.2 indicates that 3-Di-N-Propylamino-1-Propyne is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.1 Ų, 3-Di-N-Propylamino-1-Propyne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Di-N-Propylamino-1-Propyne has 1 hydrogen bond donor(s) and 4 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 3-Di-N-Propylamino-1-Propyne?
The CAS number of 3-Di-N-Propylamino-1-Propyne is 257295-47-9.
What is the molecular formula of 3-Di-N-Propylamino-1-Propyne?
The molecular formula of 3-Di-N-Propylamino-1-Propyne is C14H12ClF3N2O.
What is the molecular weight of 3-Di-N-Propylamino-1-Propyne?
The molecular weight of 3-Di-N-Propylamino-1-Propyne is 316.06 g/mol.
Where can I buy 3-Di-N-Propylamino-1-Propyne?
You can request a quote for 3-Di-N-Propylamino-1-Propyne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Di-N-Propylamino-1-Propyne?
Yes, KEHONG BIO provides custom synthesis services for 3-Di-N-Propylamino-1-Propyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.