BAS 05397598
TL;DR: BAS 05397598 (CAS 692264-39-4) is a chemical compound with molecular formula C16H16N6O and molecular weight 308.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2,6-dimethylphenoxy)methyl]-10-methyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
Also Known As: BAS 05397598, BRD-K96072877-001-07-4, 3-[(2,6-dimethylphenoxy)methyl]-7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine, 3-((2,6-dimethylphenoxy)methyl)-7-methyl-7h-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
| Molecular Formula | C16H16N6O |
|---|---|
| Molecular Weight | 308.14 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 70.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.13855 |
| Heavy Atoms | 23 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 692264-39-4 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)OCC2=NN=C3N2C=NC4=C3C=NN4C |
| InChIKey | SYTDPSBDGWHMAI-UHFFFAOYSA-N |
Product Overview
BAS 05397598 (CAS 692264-39-4), with molecular formula C16H16N6O and molecular weight 308.14 g/mol. IUPAC: 5-[(2,6-dimethylphenoxy)methyl]-10-methyl-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 05397598
Property Insights of BAS 05397598
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 05397598. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05397598. Following Lipinski's Rule of Five, BAS 05397598 has 0 hydrogen bond donor(s) and 5 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 05397598?
The CAS number of BAS 05397598 is 692264-39-4.
What is the molecular formula of BAS 05397598?
The molecular formula of BAS 05397598 is C16H16N6O.
What is the molecular weight of BAS 05397598?
The molecular weight of BAS 05397598 is 308.14 g/mol.
Where can I buy BAS 05397598?
You can request a quote for BAS 05397598 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05397598?
Yes, KEHONG BIO provides custom synthesis services for BAS 05397598 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.