BAS 13120052
TL;DR: BAS 13120052 (CAS 351521-19-2) is a chemical compound with molecular formula C21H14F3N5O and molecular weight 409.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-pyridin-3-yl-11-(trifluoromethyl)-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,13,15-heptaene-14-carboxamide
Also Known As: BAS 13120052, N-(pyridin-3-yl)-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamide, N~10~-(3-PYRIDYL)-7-(TRIFLUOROMETHYL)-5,6-DIHYDROBENZO[H]PYRAZOLO[5,1-B]QUINAZOLINE-10-CARBOXAMIDE
| Molecular Formula | C21H14F3N5O |
|---|---|
| Molecular Weight | 409.12 g/mol |
| LogP | 4.161 |
| Topological Polar Surface Area | 72.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 409.11505 |
| Heavy Atoms | 30 |
| Complexity | 1281.2867 |
Chemical Identifiers
| CAS Number | 351521-19-2 |
|---|---|
| SMILES | C1CC2=C(N3C(=CC(=N3)C(=O)NC4=CN=CC=C4)N=C2C5=CC=CC=C51)C(F)(F)F |
Product Overview
BAS 13120052 (CAS 351521-19-2), with molecular formula C21H14F3N5O and molecular weight 409.12 g/mol. IUPAC: N-pyridin-3-yl-11-(trifluoromethyl)-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,13,15-heptaene-14-carboxamide.
Chemical Property Profile of BAS 13120052
Property Insights of BAS 13120052
The XLogP value of 4.161 indicates that BAS 13120052 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.18 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13120052. Following Lipinski's Rule of Five, BAS 13120052 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 BAS 13120052?
The CAS number of BAS 13120052 is 351521-19-2.
What is the molecular formula of BAS 13120052?
The molecular formula of BAS 13120052 is C21H14F3N5O.
What is the molecular weight of BAS 13120052?
The molecular weight of BAS 13120052 is 409.12 g/mol.
Where can I buy BAS 13120052?
You can request a quote for BAS 13120052 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13120052?
Yes, KEHONG BIO provides custom synthesis services for BAS 13120052 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.