ChemDiv1_005080
TL;DR: ChemDiv1_005080 (CAS 303994-52-7) is a chemical compound with molecular formula C15H14N4O3 and molecular weight 298.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[7-(1,3-benzodioxol-5-yl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone
Also Known As: ChemDiv1_005080, 1-[7-(1,3-benzodioxol-5-yl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-ethanone, 1-[7-(2H-1,3-benzodioxol-5-yl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethan-1-one, 11N-838, AF-399/14218042
| Molecular Formula | C15H14N4O3 |
|---|---|
| Molecular Weight | 298.11 g/mol |
| LogP | 1.8847 |
| Topological Polar Surface Area | 78.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 298.1066 |
| Heavy Atoms | 22 |
| Complexity | 808.86896 |
Chemical Identifiers
| CAS Number | 303994-52-7 |
|---|---|
| SMILES | CC1=C(C(N2C(=NC=N2)N1)C3=CC4=C(C=C3)OCO4)C(=O)C |
Product Overview
ChemDiv1_005080 (CAS 303994-52-7), with molecular formula C15H14N4O3 and molecular weight 298.11 g/mol. IUPAC: 1-[7-(1,3-benzodioxol-5-yl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone.
Chemical Property Profile of ChemDiv1_005080
Property Insights of ChemDiv1_005080
The XLogP value of 1.8847 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_005080. The TPSA of 78.27 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005080. Following Lipinski's Rule of Five, ChemDiv1_005080 has 1 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 ChemDiv1_005080?
The CAS number of ChemDiv1_005080 is 303994-52-7.
What is the molecular formula of ChemDiv1_005080?
The molecular formula of ChemDiv1_005080 is C15H14N4O3.
What is the molecular weight of ChemDiv1_005080?
The molecular weight of ChemDiv1_005080 is 298.11 g/mol.
Where can I buy ChemDiv1_005080?
You can request a quote for ChemDiv1_005080 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005080?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005080 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.