BAS 13120051
TL;DR: BAS 13120051 (CAS 313389-88-7) is a chemical compound with molecular formula C25H19F3N4O and molecular weight 448.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dihydro-2H-quinolin-1-yl-[11-(trifluoromethyl)-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,13,15-heptaen-14-yl]methanone
Also Known As: BAS 13120051, 10-(3,4-dihydro-1(2H)-quinolinylcarbonyl)-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline, (3,4-dihydroquinolin-1(2H)-yl)(7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl)methanone, 1,2,3,4-tetrahydroquinolyl 7-(trifluoromethyl)(5,6,8-trihydrobenzo[h]pyrazolo[ 5,1-b]quinazolin-10-yl) ketone, 3,4-dihydro-2H-quinolin-1-yl-[11-(trifluoromethyl)-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,13,15-heptaen-14-yl]methanone
| Molecular Formula | C25H19F3N4O |
|---|---|
| Molecular Weight | 448.15 g/mol |
| LogP | 5.1067 |
| Topological Polar Surface Area | 50.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 448.1511 |
| Heavy Atoms | 33 |
| Complexity | 1423.1873 |
Chemical Identifiers
| CAS Number | 313389-88-7 |
|---|---|
| SMILES | C1CC2=CC=CC=C2N(C1)C(=O)C3=NN4C(=C3)N=C5C(=C4C(F)(F)F)CCC6=CC=CC=C65 |
Product Overview
BAS 13120051 (CAS 313389-88-7), with molecular formula C25H19F3N4O and molecular weight 448.15 g/mol. IUPAC: 3,4-dihydro-2H-quinolin-1-yl-[11-(trifluoromethyl)-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,13,15-heptaen-14-yl]methanone.
Chemical Property Profile of BAS 13120051
Property Insights of BAS 13120051
The XLogP value of 5.1067 indicates that BAS 13120051 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.5 Ų, BAS 13120051 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 13120051 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 13120051?
The CAS number of BAS 13120051 is 313389-88-7.
What is the molecular formula of BAS 13120051?
The molecular formula of BAS 13120051 is C25H19F3N4O.
What is the molecular weight of BAS 13120051?
The molecular weight of BAS 13120051 is 448.15 g/mol.
Where can I buy BAS 13120051?
You can request a quote for BAS 13120051 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13120051?
Yes, KEHONG BIO provides custom synthesis services for BAS 13120051 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.