BAS 05397583
TL;DR: BAS 05397583 (CAS 489444-63-5) is a chemical compound with molecular formula C14H11ClN6O and molecular weight 314.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-chlorophenoxy)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 05397583, 3-((4-chlorophenoxy)methyl)-7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine, 3-[(4-chlorophenoxy)methyl]-7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
| Molecular Formula | C14H11ClN6O |
|---|---|
| Molecular Weight | 314.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 70.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.0683 |
| Heavy Atoms | 22 |
| Complexity | 394.0 |
Chemical Identifiers
| CAS Number | 489444-63-5 |
|---|---|
| SMILES | CN1C2=C(C=N1)C3=NN=C(N3C=N2)COC4=CC=C(C=C4)Cl |
| InChIKey | CCYLOWRQTGAZKH-UHFFFAOYSA-N |
Product Overview
BAS 05397583 (CAS 489444-63-5), with molecular formula C14H11ClN6O and molecular weight 314.07 g/mol. IUPAC: 5-[(4-chlorophenoxy)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 05397583
Property Insights of BAS 05397583
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 05397583. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05397583. Following Lipinski's Rule of Five, BAS 05397583 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 05397583?
The CAS number of BAS 05397583 is 489444-63-5.
What is the molecular formula of BAS 05397583?
The molecular formula of BAS 05397583 is C14H11ClN6O.
What is the molecular weight of BAS 05397583?
The molecular weight of BAS 05397583 is 314.07 g/mol.
Where can I buy BAS 05397583?
You can request a quote for BAS 05397583 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05397583?
Yes, KEHONG BIO provides custom synthesis services for BAS 05397583 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.