BAS 01058317
TL;DR: BAS 01058317 (CAS 313389-95-6) is a chemical compound with molecular formula C27H24F3N5O and molecular weight 491.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-benzylpiperazin-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 01058317, A2173/0091253, (4-benzylpiperazin-1-yl)(7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl)methanone, (4-benzylpiperazin-1-yl)[7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl]methanone, (4-benzylpiperazino)[7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl]methanone
| Molecular Formula | C27H24F3N5O |
|---|---|
| Molecular Weight | 491.19 g/mol |
| LogP | 4.4717 |
| Topological Polar Surface Area | 53.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 491.1933 |
| Heavy Atoms | 36 |
| Complexity | 1439.3191 |
Chemical Identifiers
| CAS Number | 313389-95-6 |
|---|---|
| SMILES | C1CC2=C(N3C(=CC(=N3)C(=O)N4CCN(CC4)CC5=CC=CC=C5)N=C2C6=CC=CC=C61)C(F)(F)F |
Product Overview
BAS 01058317 (CAS 313389-95-6), with molecular formula C27H24F3N5O and molecular weight 491.19 g/mol. IUPAC: (4-benzylpiperazin-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 01058317
Property Insights of BAS 01058317
The XLogP value of 4.4717 indicates that BAS 01058317 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.74 Ų, BAS 01058317 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01058317 has 0 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 01058317?
The CAS number of BAS 01058317 is 313389-95-6.
What is the molecular formula of BAS 01058317?
The molecular formula of BAS 01058317 is C27H24F3N5O.
What is the molecular weight of BAS 01058317?
The molecular weight of BAS 01058317 is 491.19 g/mol.
Where can I buy BAS 01058317?
You can request a quote for BAS 01058317 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01058317?
Yes, KEHONG BIO provides custom synthesis services for BAS 01058317 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.