PD 135042
TL;DR: PD 135042 (CAS 1010883-86-9) is a chemical compound with molecular formula C18H20FN3O4 and molecular weight 361.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
Also Known As: 1-Cyclopropyl-6-fluoro-8-methoxy-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid, 3-Desmethyl Gatifloxacin, Desmethyl Gatifloxacin, Quinolone der., 8-methoxyciprofloxacin
| Molecular Formula | C18H20FN3O4 |
|---|---|
| Molecular Weight | 361.14 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 82.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 361.1438 |
| Heavy Atoms | 26 |
| Complexity | 618.0 |
Chemical Identifiers
| CAS Number | 1010883-86-9 |
|---|---|
| SMILES | COC1=C2C(=CC(=C1N3CCNCC3)F)C(=O)C(=CN2C4CC4)C(=O)O |
| InChIKey | XJCSNIFKGXSDGN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
PD 135042 (CAS 1010883-86-9), with molecular formula C18H20FN3O4 and molecular weight 361.14 g/mol. IUPAC: 1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid.
Chemical Property Profile of PD 135042
Property Insights of PD 135042
The XLogP value of -1.1 indicates that PD 135042 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for PD 135042. Following Lipinski's Rule of Five, PD 135042 has 2 hydrogen bond donor(s) and 8 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 135042?
The CAS number of PD 135042 is 1010883-86-9.
What is the molecular formula of PD 135042?
The molecular formula of PD 135042 is C18H20FN3O4.
What is the molecular weight of PD 135042?
The molecular weight of PD 135042 is 361.14 g/mol.
Where can I buy PD 135042?
You can request a quote for PD 135042 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PD 135042?
Yes, KEHONG BIO provides custom synthesis services for PD 135042 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.