BAS 12915120
TL;DR: BAS 12915120 (CAS 879563-54-9) is a chemical compound with molecular formula C18H16N6O and molecular weight 332.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraene
Also Known As: BAS 12915120, A4001/0170525, 2-(5-(4-methoxyphenyl)-1H-pyrazol-3-yl)-8,9-dihydro-7H-cyclopenta[e][1,2,4]triazolo[1,5-c]pyrimidine, 2-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-8,9-dihydro-7H-cyclopenta[e][1,2,4]triazolo[1,5-c]pyrimidine
| Molecular Formula | C18H16N6O |
|---|---|
| Molecular Weight | 332.14 g/mol |
| LogP | 2.6787 |
| Topological Polar Surface Area | 80.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.13855 |
| Heavy Atoms | 25 |
| Complexity | 1063.0623 |
Chemical Identifiers
| CAS Number | 879563-54-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NNC(=C2)C3=NN4C=NC5=C(C4=N3)CCC5 |
Product Overview
BAS 12915120 (CAS 879563-54-9), with molecular formula C18H16N6O and molecular weight 332.14 g/mol. IUPAC: 4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraene.
Chemical Property Profile of BAS 12915120
Property Insights of BAS 12915120
The XLogP value of 2.6787 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12915120. The TPSA of 80.99 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12915120. Following Lipinski's Rule of Five, BAS 12915120 has 1 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 12915120?
The CAS number of BAS 12915120 is 879563-54-9.
What is the molecular formula of BAS 12915120?
The molecular formula of BAS 12915120 is C18H16N6O.
What is the molecular weight of BAS 12915120?
The molecular weight of BAS 12915120 is 332.14 g/mol.
Where can I buy BAS 12915120?
You can request a quote for BAS 12915120 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12915120?
Yes, KEHONG BIO provides custom synthesis services for BAS 12915120 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.