A3864/0164127
TL;DR: A3864/0164127 (CAS 728028-65-7) is a chemical compound with molecular formula C13H14F3N3O and molecular weight 285.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dimethyl-3-[7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]-1H-pyridin-2-one
Also Known As: A3864/0164127, 4,6-dimethyl-3-[7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]pyridin-2-ol, 4,6-dimethyl-3-(7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl)pyridin-2(1H)-one, 4,6-dimethyl-3-[5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-7-yl]pyridin-2(1H)-one, 4,6-dimethyl-3-[7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]-1H-pyridin-2-one
| Molecular Formula | C13H14F3N3O |
|---|---|
| Molecular Weight | 285.11 g/mol |
| LogP | 1.83024 |
| Topological Polar Surface Area | 57.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 285.1089 |
| Heavy Atoms | 20 |
| Complexity | 641.24194 |
Chemical Identifiers
| CAS Number | 728028-65-7 |
|---|---|
| SMILES | CC1=CC(=C(C(=O)N1)C2=NCCNC(=C2)C(F)(F)F)C |
Product Overview
A3864/0164127 (CAS 728028-65-7), with molecular formula C13H14F3N3O and molecular weight 285.11 g/mol. IUPAC: 4,6-dimethyl-3-[7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]-1H-pyridin-2-one.
Chemical Property Profile of A3864/0164127
Property Insights of A3864/0164127
The XLogP value of 1.83024 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3864/0164127. With a topological polar surface area (TPSA) of 57.25 Ų, A3864/0164127 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3864/0164127 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 A3864/0164127?
The CAS number of A3864/0164127 is 728028-65-7.
What is the molecular formula of A3864/0164127?
The molecular formula of A3864/0164127 is C13H14F3N3O.
What is the molecular weight of A3864/0164127?
The molecular weight of A3864/0164127 is 285.11 g/mol.
Where can I buy A3864/0164127?
You can request a quote for A3864/0164127 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3864/0164127?
Yes, KEHONG BIO provides custom synthesis services for A3864/0164127 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.