BAS 12915121
TL;DR: BAS 12915121 (CAS 878419-69-3) is a chemical compound with molecular formula C17H14N6O and molecular weight 318.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-4-ylmethyl)phthalazin-1-one
Also Known As: BAS 12915121, A3948/0168181, 2-((8,9-dihydro-7H-cyclopenta[e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl)phthalazin-1(2H)-one, 2-(8,9-DIHYDRO-7H-CYCLOPENTA[E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-2-YLMETHYL)-1(2H)-PHTHALAZINONE, 2-(8,9-dihydro-7H-cyclopenta[e][1,2,4]triazolo[1,5-c]pyrimidin-2-ylmethyl)phthalazin-1(2H)-one
| Molecular Formula | C17H14N6O |
|---|---|
| Molecular Weight | 318.12 g/mol |
| LogP | 1.3712 |
| Topological Polar Surface Area | 77.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 318.1229 |
| Heavy Atoms | 24 |
| Complexity | 1142.9465 |
Chemical Identifiers
| CAS Number | 878419-69-3 |
|---|---|
| SMILES | C1CC2=C(C1)N=CN3C2=NC(=N3)CN4C(=O)C5=CC=CC=C5C=N4 |
Product Overview
BAS 12915121 (CAS 878419-69-3), with molecular formula C17H14N6O and molecular weight 318.12 g/mol. IUPAC: 2-(3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-4-ylmethyl)phthalazin-1-one.
Chemical Property Profile of BAS 12915121
Property Insights of BAS 12915121
The XLogP value of 1.3712 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12915121. The TPSA of 77.97 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12915121. Following Lipinski's Rule of Five, BAS 12915121 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 12915121?
The CAS number of BAS 12915121 is 878419-69-3.
What is the molecular formula of BAS 12915121?
The molecular formula of BAS 12915121 is C17H14N6O.
What is the molecular weight of BAS 12915121?
The molecular weight of BAS 12915121 is 318.12 g/mol.
Where can I buy BAS 12915121?
You can request a quote for BAS 12915121 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12915121?
Yes, KEHONG BIO provides custom synthesis services for BAS 12915121 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.