AB01288642-01
TL;DR: AB01288642-01 (CAS 846587-91-5) is a chemical compound with molecular formula C16H15ClN6 and molecular weight 326.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-10-(4-chlorophenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
Also Known As: AB01288642-01, 4-tert-butyl-10-(4-chlorophenyl)-3,5,6,8,10,11-hexaazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaene, 2-(tert-butyl)-7-(4-chlorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine, 2-tert-butyl-7-(4-chlorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine, 8-(tert-butyl)-3-(4-chlorophenyl)-6-hydropyrazolo[5,4-d]1,2,4-triazolo[1,5-e]p yrimidine
| Molecular Formula | C16H15ClN6 |
|---|---|
| Molecular Weight | 326.10 g/mol |
| LogP | 3.4141 |
| Topological Polar Surface Area | 60.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 326.10468 |
| Heavy Atoms | 23 |
| Complexity | 1006.83435 |
Chemical Identifiers
| CAS Number | 846587-91-5 |
|---|---|
| SMILES | CC(C)(C)C1=NN2C=NC3=C(C2=N1)C=NN3C4=CC=C(C=C4)Cl |
Product Overview
AB01288642-01 (CAS 846587-91-5), with molecular formula C16H15ClN6 and molecular weight 326.10 g/mol. IUPAC: 4-tert-butyl-10-(4-chlorophenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.
Chemical Property Profile of AB01288642-01
Property Insights of AB01288642-01
The XLogP value of 3.4141 indicates that AB01288642-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01288642-01. Following Lipinski's Rule of Five, AB01288642-01 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 AB01288642-01?
The CAS number of AB01288642-01 is 846587-91-5.
What is the molecular formula of AB01288642-01?
The molecular formula of AB01288642-01 is C16H15ClN6.
What is the molecular weight of AB01288642-01?
The molecular weight of AB01288642-01 is 326.10 g/mol.
Where can I buy AB01288642-01?
You can request a quote for AB01288642-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01288642-01?
Yes, KEHONG BIO provides custom synthesis services for AB01288642-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.