BAS 01058331
TL;DR: BAS 01058331 (CAS 334499-17-1) is a chemical compound with molecular formula C22H15F3N4O2 and molecular weight 424.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-hydroxyphenyl)-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 01058331, N-(4-hydroxyphenyl)-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamide, A2200/0092585, N-(4-hydroxyphenyl)-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, N-(4-hydroxyphenyl)[7-(trifluoromethyl)(5,6,8-trihydrobenzo[h]pyrazolo[5,1-b]q uinazolin-10-yl)]carboxamide
| Molecular Formula | C22H15F3N4O2 |
|---|---|
| Molecular Weight | 424.11 g/mol |
| LogP | 4.4716 |
| Topological Polar Surface Area | 79.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 424.11472 |
| Heavy Atoms | 31 |
| Complexity | 1327.3364 |
Chemical Identifiers
| CAS Number | 334499-17-1 |
|---|---|
| SMILES | C1CC2=C(N3C(=CC(=N3)C(=O)NC4=CC=C(C=C4)O)N=C2C5=CC=CC=C51)C(F)(F)F |
Product Overview
BAS 01058331 (CAS 334499-17-1), with molecular formula C22H15F3N4O2 and molecular weight 424.11 g/mol. IUPAC: N-(4-hydroxyphenyl)-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 01058331
Property Insights of BAS 01058331
The XLogP value of 4.4716 indicates that BAS 01058331 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.52 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01058331. Following Lipinski's Rule of Five, BAS 01058331 has 2 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 01058331?
The CAS number of BAS 01058331 is 334499-17-1.
What is the molecular formula of BAS 01058331?
The molecular formula of BAS 01058331 is C22H15F3N4O2.
What is the molecular weight of BAS 01058331?
The molecular weight of BAS 01058331 is 424.11 g/mol.
Where can I buy BAS 01058331?
You can request a quote for BAS 01058331 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01058331?
Yes, KEHONG BIO provides custom synthesis services for BAS 01058331 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.