BAS 11317676
TL;DR: BAS 11317676 (CAS 691368-95-3) is a chemical compound with molecular formula C14H13FN4O and molecular weight 272.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[7-(3-fluorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone
Also Known As: BAS 11317676, F3161-0187, A3615/0153284, 1-(7-(3-fluorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone, 1-[7-(3-fluorophenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethan-1-one
| Molecular Formula | C14H13FN4O |
|---|---|
| Molecular Weight | 272.11 g/mol |
| LogP | 2.2951 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.10733 |
| Heavy Atoms | 20 |
| Complexity | 719.46893 |
Chemical Identifiers
| CAS Number | 691368-95-3 |
|---|---|
| SMILES | CC1=C(C(N2C(=NC=N2)N1)C3=CC(=CC=C3)F)C(=O)C |
Product Overview
BAS 11317676 (CAS 691368-95-3), with molecular formula C14H13FN4O and molecular weight 272.11 g/mol. IUPAC: 1-[7-(3-fluorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone.
Chemical Property Profile of BAS 11317676
Property Insights of BAS 11317676
The XLogP value of 2.2951 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 11317676. With a topological polar surface area (TPSA) of 59.81 Ų, BAS 11317676 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 11317676 has 1 hydrogen bond donor(s) and 4 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 11317676?
The CAS number of BAS 11317676 is 691368-95-3.
What is the molecular formula of BAS 11317676?
The molecular formula of BAS 11317676 is C14H13FN4O.
What is the molecular weight of BAS 11317676?
The molecular weight of BAS 11317676 is 272.11 g/mol.
Where can I buy BAS 11317676?
You can request a quote for BAS 11317676 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 11317676?
Yes, KEHONG BIO provides custom synthesis services for BAS 11317676 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.