Antibacterial compound 2
TL;DR: Antibacterial compound 2 (CAS 170104-58-2) is a chemical compound with molecular formula C22H30FN5O6 and molecular weight 479.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-2-oxoethyl] 2-(dimethylamino)acetate
Also Known As: Antibacterial compound 2, PNU 101099, [2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-2-oxoethyl] 2-(dimethylamino)acetate, (S)-2-(4-(4-(5-(Acetamidomethyl)-2-oxooxazolidin-3-yl)-2-fluorophenyl)piperazin-1-yl)-2-oxoethyl dimethylglycinate, [2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-oxazolidin-3-yl]-2-fluoro-phenyl]piperazin-1-yl]-2-oxo-ethyl] 2-(dimethylamino)acetate
| Molecular Formula | C22H30FN5O6 |
|---|---|
| Molecular Weight | 479.22 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 479.21802 |
| Heavy Atoms | 34 |
| Complexity | 760.0 |
Chemical Identifiers
| CAS Number | 170104-58-2 |
|---|---|
| SMILES | CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)COC(=O)CN(C)C)F |
| InChIKey | QCJUVAWBUTUUML-KRWDZBQOSA-N |
Product Overview
Antibacterial compound 2 (CAS 170104-58-2), with molecular formula C22H30FN5O6 and molecular weight 479.22 g/mol. IUPAC: [2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-2-oxoethyl] 2-(dimethylamino)acetate.
Chemical Property Profile of Antibacterial compound 2
Property Insights of Antibacterial compound 2
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Antibacterial compound 2. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Antibacterial compound 2. Following Lipinski's Rule of Five, Antibacterial compound 2 has 1 hydrogen bond donor(s) and 9 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 Antibacterial compound 2?
The CAS number of Antibacterial compound 2 is 170104-58-2.
What is the molecular formula of Antibacterial compound 2?
The molecular formula of Antibacterial compound 2 is C22H30FN5O6.
What is the molecular weight of Antibacterial compound 2?
The molecular weight of Antibacterial compound 2 is 479.22 g/mol.
Where can I buy Antibacterial compound 2?
You can request a quote for Antibacterial compound 2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Antibacterial compound 2?
Yes, KEHONG BIO provides custom synthesis services for Antibacterial compound 2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.