N,N-Diethyl-3,6-difluorophthalamic acid
TL;DR: N,N-Diethyl-3,6-difluorophthalamic acid (CAS 131401-56-4) is a chemical compound with molecular formula C12H13F2NO3 and molecular weight 257.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylcarbamoyl)-3,6-difluorobenzoic acid
Also Known As: N,N-Diethyl-3,6-difluorophthalamic acid, 2-(diethylcarbamoyl)-3,6-difluorobenzoic acid, Benzoic acid, 2-[(diethylamino)carbonyl]-3,6-difluoro-, N,N-Diethyl-3,6-difluorophthalamicacid, N,N-Diethyl-3,6-difluorophthalamidic acid
| Molecular Formula | C12H13F2NO3 |
|---|---|
| Molecular Weight | 257.09 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 257.08636 |
| Heavy Atoms | 18 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 131401-56-4 |
|---|---|
| SMILES | CCN(CC)C(=O)C1=C(C=CC(=C1C(=O)O)F)F |
| InChIKey | DYPGXWRGWRATMM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N,N-Diethyl-3,6-difluorophthalamic acid (CAS 131401-56-4), with molecular formula C12H13F2NO3 and molecular weight 257.09 g/mol. IUPAC: 2-(diethylcarbamoyl)-3,6-difluorobenzoic acid.
Chemical Property Profile of N,N-Diethyl-3,6-difluorophthalamic acid
Property Insights of N,N-Diethyl-3,6-difluorophthalamic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-Diethyl-3,6-difluorophthalamic acid. With a topological polar surface area (TPSA) of 57.6 Ų, N,N-Diethyl-3,6-difluorophthalamic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-Diethyl-3,6-difluorophthalamic acid has 1 hydrogen bond donor(s) and 5 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 N,N-Diethyl-3,6-difluorophthalamic acid?
The CAS number of N,N-Diethyl-3,6-difluorophthalamic acid is 131401-56-4.
What is the molecular formula of N,N-Diethyl-3,6-difluorophthalamic acid?
The molecular formula of N,N-Diethyl-3,6-difluorophthalamic acid is C12H13F2NO3.
What is the molecular weight of N,N-Diethyl-3,6-difluorophthalamic acid?
The molecular weight of N,N-Diethyl-3,6-difluorophthalamic acid is 257.09 g/mol.
Where can I buy N,N-Diethyl-3,6-difluorophthalamic acid?
You can request a quote for N,N-Diethyl-3,6-difluorophthalamic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-Diethyl-3,6-difluorophthalamic acid?
Yes, KEHONG BIO provides custom synthesis services for N,N-Diethyl-3,6-difluorophthalamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.