Dq113
TL;DR: Dq113 (CAS 190954-07-5) is a chemical compound with molecular formula C21H23F3N4O3 and molecular weight 436.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-7-[(3R,4S)-3-(1-aminocyclopropyl)-4-fluoropyrrolidin-1-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methyl-4-oxoquinoline-3-carboxylic acid
Also Known As: Dq113, DQ 113, D61-1113, J1.690.150D, 5-Amino-7-((3R,4S)-3-(1-aminocyclopropyl)-4-fluoro-pyrrolidin-1-yl)-6-fluoro-1-((1R,2S)-2-fluorocyclopropyl)-8-methyl-4-oxo-quinoline-3-carboxylic acid
| Molecular Formula | C21H23F3N4O3 |
|---|---|
| Molecular Weight | 436.17 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 436.1722 |
| Heavy Atoms | 31 |
| Complexity | 837.0 |
Chemical Identifiers
| CAS Number | 190954-07-5 |
|---|---|
| SMILES | CC1=C2C(=C(C(=C1N3C[C@@H]([C@@H](C3)F)C4(CC4)N)F)N)C(=O)C(=CN2[C@@H]5C[C@@H]5F)C(=O)O |
| InChIKey | QEYBPFUVEMVIQD-WUHRBBMRSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dq113 (CAS 190954-07-5), with molecular formula C21H23F3N4O3 and molecular weight 436.17 g/mol. IUPAC: 5-amino-7-[(3R,4S)-3-(1-aminocyclopropyl)-4-fluoropyrrolidin-1-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methyl-4-oxoquinoline-3-carboxylic acid.
Chemical Property Profile of Dq113
Property Insights of Dq113
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dq113. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dq113. Following Lipinski's Rule of Five, Dq113 has 3 hydrogen bond donor(s) and 10 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 Dq113?
The CAS number of Dq113 is 190954-07-5.
What is the molecular formula of Dq113?
The molecular formula of Dq113 is C21H23F3N4O3.
What is the molecular weight of Dq113?
The molecular weight of Dq113 is 436.17 g/mol.
Where can I buy Dq113?
You can request a quote for Dq113 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dq113?
Yes, KEHONG BIO provides custom synthesis services for Dq113 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.