BAS 05397626
TL;DR: BAS 05397626 (CAS 488109-10-0) is a chemical compound with molecular formula C21H18N6O2 and molecular weight 386.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3,4-dimethoxyphenyl)methyl]-10-phenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
Also Known As: BAS 05397626, 3-(3,4-dimethoxybenzyl)-7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
| Molecular Formula | C21H18N6O2 |
|---|---|
| Molecular Weight | 386.15 g/mol |
| LogP | 3.0712 |
| Topological Polar Surface Area | 79.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 386.1491 |
| Heavy Atoms | 29 |
| Complexity | 1309.2711 |
Chemical Identifiers
| CAS Number | 488109-10-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CC2=NN=C3N2C=NC4=C3C=NN4C5=CC=CC=C5)OC |
Product Overview
BAS 05397626 (CAS 488109-10-0), with molecular formula C21H18N6O2 and molecular weight 386.15 g/mol. IUPAC: 5-[(3,4-dimethoxyphenyl)methyl]-10-phenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.
Chemical Property Profile of BAS 05397626
Property Insights of BAS 05397626
The XLogP value of 3.0712 indicates that BAS 05397626 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.36 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05397626. Following Lipinski's Rule of Five, BAS 05397626 has 0 hydrogen bond donor(s) and 6 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 05397626?
The CAS number of BAS 05397626 is 488109-10-0.
What is the molecular formula of BAS 05397626?
The molecular formula of BAS 05397626 is C21H18N6O2.
What is the molecular weight of BAS 05397626?
The molecular weight of BAS 05397626 is 386.15 g/mol.
Where can I buy BAS 05397626?
You can request a quote for BAS 05397626 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05397626?
Yes, KEHONG BIO provides custom synthesis services for BAS 05397626 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.