ADDNC
TL;DR: ADDNC (CAS 13146-74-2) is a chemical compound with molecular formula C20H17F3N4O3 and molecular weight 418.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2S,4S)-4-amino-2-methylpyrrolidin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
Also Known As: ADDNC, A-65485, 7-[(2S,4S)-4-amino-2-methylpyrrolidin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid, 7-(4'-Amino-2'-methylpyrrolidinyl)-1-(2,4-difluorophenyl)-1,4-dihydro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid, 7-[(2s,4s)-4-amino-2-methylpyrrolidin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid
| Molecular Formula | C20H17F3N4O3 |
|---|---|
| Molecular Weight | 418.13 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 99.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 418.12527 |
| Heavy Atoms | 30 |
| Complexity | 738.0 |
Chemical Identifiers
| CAS Number | 13146-74-2 |
|---|---|
| SMILES | C[C@H]1C[C@@H](CN1C2=C(C=C3C(=O)C(=CN(C3=N2)C4=C(C=C(C=C4)F)F)C(=O)O)F)N |
| InChIKey | IHZWSSPWZKJJMD-ONGXEEELSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ADDNC (CAS 13146-74-2), with molecular formula C20H17F3N4O3 and molecular weight 418.13 g/mol. IUPAC: 7-[(2S,4S)-4-amino-2-methylpyrrolidin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid.
Chemical Property Profile of ADDNC
Property Insights of ADDNC
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ADDNC. The TPSA of 99.8 Ų falls within the moderate polarity range, balancing permeability and solubility for ADDNC. Following Lipinski's Rule of Five, ADDNC has 2 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 ADDNC?
The CAS number of ADDNC is 13146-74-2.
What is the molecular formula of ADDNC?
The molecular formula of ADDNC is C20H17F3N4O3.
What is the molecular weight of ADDNC?
The molecular weight of ADDNC is 418.13 g/mol.
Where can I buy ADDNC?
You can request a quote for ADDNC directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ADDNC?
Yes, KEHONG BIO provides custom synthesis services for ADDNC and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.