A3597/0152412
TL;DR: A3597/0152412 (CAS 919741-44-9) is a chemical compound with molecular formula C14H15F4N3O and molecular weight 317.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dimethyl-3-[7-(1,1,2,2-tetrafluoroethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]-1H-pyridin-2-one
Also Known As: A3597/0152412, 4,6-dimethyl-3-(7-(1,1,2,2-tetrafluoroethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl)pyridin-2(1H)-one, 4,6-dimethyl-3-[5-(1,1,2,2-tetrafluoroethyl)(1,2-dihydro-3H-1,4-diazepin-7-yl) ]hydropyridin-2-one, 4,6-DIMETHYL-3-[5-(1,1,2,2-TETRAFLUOROETHYL)-2,3-DIHYDRO-1H-1,4-DIAZEPIN-7-YL]-2(1H)-PYRIDINONE, 4,6-dimethyl-3-[5-(1,1,2,2-tetrafluoroethyl)-2,3-dihydro-1H-1,4-diazepin-7-yl]pyridin-2(1H)-one
| Molecular Formula | C14H15F4N3O |
|---|---|
| Molecular Weight | 317.12 g/mol |
| LogP | 2.16834 |
| Topological Polar Surface Area | 57.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.1151 |
| Heavy Atoms | 22 |
| Complexity | 691.8186 |
Chemical Identifiers
| CAS Number | 919741-44-9 |
|---|---|
| SMILES | CC1=CC(=C(C(=O)N1)C2=NCCNC(=C2)C(C(F)F)(F)F)C |
Product Overview
A3597/0152412 (CAS 919741-44-9), with molecular formula C14H15F4N3O and molecular weight 317.12 g/mol. IUPAC: 4,6-dimethyl-3-[7-(1,1,2,2-tetrafluoroethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]-1H-pyridin-2-one.
Chemical Property Profile of A3597/0152412
Property Insights of A3597/0152412
The XLogP value of 2.16834 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3597/0152412. With a topological polar surface area (TPSA) of 57.25 Ų, A3597/0152412 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3597/0152412 has 2 hydrogen bond donor(s) and 3 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 A3597/0152412?
The CAS number of A3597/0152412 is 919741-44-9.
What is the molecular formula of A3597/0152412?
The molecular formula of A3597/0152412 is C14H15F4N3O.
What is the molecular weight of A3597/0152412?
The molecular weight of A3597/0152412 is 317.12 g/mol.
Where can I buy A3597/0152412?
You can request a quote for A3597/0152412 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3597/0152412?
Yes, KEHONG BIO provides custom synthesis services for A3597/0152412 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.