PD 161315
TL;DR: PD 161315 (CAS 116162-85-7) is a chemical compound with molecular formula C20H26FN3O3 and molecular weight 375.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-7-(3,5-dimethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid
Also Known As: PD 161315, 1-tert-butyl-7-(3,5-dimethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid, 1-tert-butyl-7-(3,5-dimethylpiperazin-1-yl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, 2,5-Heptadienedioic acid,2,6-dicyano-3,5-dihydroxy-,diethyl ester, 1-(tert-Butyl)-7-(3,5-dimethylpiperazin-1-yl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
| Molecular Formula | C20H26FN3O3 |
|---|---|
| Molecular Weight | 375.20 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 72.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 375.19583 |
| Heavy Atoms | 27 |
| Complexity | 635.0 |
Chemical Identifiers
| CAS Number | 116162-85-7 |
|---|---|
| SMILES | CC1CN(CC(N1)C)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C(C)(C)C)F |
| InChIKey | ZKXANRKOHXSTKC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
PD 161315 (CAS 116162-85-7), with molecular formula C20H26FN3O3 and molecular weight 375.20 g/mol. IUPAC: 1-tert-butyl-7-(3,5-dimethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid.
Chemical Property Profile of PD 161315
Property Insights of PD 161315
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for PD 161315. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for PD 161315. Following Lipinski's Rule of Five, PD 161315 has 2 hydrogen bond donor(s) and 7 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 PD 161315?
The CAS number of PD 161315 is 116162-85-7.
What is the molecular formula of PD 161315?
The molecular formula of PD 161315 is C20H26FN3O3.
What is the molecular weight of PD 161315?
The molecular weight of PD 161315 is 375.20 g/mol.
Where can I buy PD 161315?
You can request a quote for PD 161315 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PD 161315?
Yes, KEHONG BIO provides custom synthesis services for PD 161315 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.