MixCom2_000005
TL;DR: MixCom2_000005 (CAS 439108-86-8) is a chemical compound with molecular formula C17H22F3N3O3 and molecular weight 373.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoro-N-[1-(4-methoxyphenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide
Also Known As: MixCom2_000005, Bionet1_000003, 2,2,2-trifluoro-N-[1-(4-methoxyphenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide, 2,2,2-trifluoro-N-[1-(4-methoxyphenyl)-3-(4-methylpiperazino)-3-oxopropyl]acetamide
| Molecular Formula | C17H22F3N3O3 |
|---|---|
| Molecular Weight | 373.16 g/mol |
| LogP | 1.5789 |
| Topological Polar Surface Area | 61.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 373.16132 |
| Heavy Atoms | 26 |
| Complexity | 626.38055 |
Chemical Identifiers
| CAS Number | 439108-86-8 |
|---|---|
| SMILES | CN1CCN(CC1)C(=O)CC(C2=CC=C(C=C2)OC)NC(=O)C(F)(F)F |
Product Overview
MixCom2_000005 (CAS 439108-86-8), with molecular formula C17H22F3N3O3 and molecular weight 373.16 g/mol. IUPAC: 2,2,2-trifluoro-N-[1-(4-methoxyphenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide.
Chemical Property Profile of MixCom2_000005
Property Insights of MixCom2_000005
The XLogP value of 1.5789 suggests moderate lipophilicity, balancing water solubility and membrane permeability for MixCom2_000005. The TPSA of 61.88 Ų falls within the moderate polarity range, balancing permeability and solubility for MixCom2_000005. Following Lipinski's Rule of Five, MixCom2_000005 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 MixCom2_000005?
The CAS number of MixCom2_000005 is 439108-86-8.
What is the molecular formula of MixCom2_000005?
The molecular formula of MixCom2_000005 is C17H22F3N3O3.
What is the molecular weight of MixCom2_000005?
The molecular weight of MixCom2_000005 is 373.16 g/mol.
Where can I buy MixCom2_000005?
You can request a quote for MixCom2_000005 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MixCom2_000005?
Yes, KEHONG BIO provides custom synthesis services for MixCom2_000005 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.