A3801/0161330
TL;DR: A3801/0161330 (CAS 727686-11-5) is a chemical compound with molecular formula C17H17F2NO3 and molecular weight 321.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,5-difluorophenyl)-4,7,7-trimethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide
Also Known As: A3801/0161330, Bicyclo[2.2.1]heptane-1-carboxamide, N-(2,5-difluorophenyl)-4,7,7-trimethyl-2,3-dioxo-, N-(2,5-difluorophenyl)-4,7,7-trimethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide, N-(2,5-difluorophenyl)-1,7,7-trimethyl-2,3-dioxobicyclo[2.2.1]heptane-4-carboxamide, (1R,4S)-N-(2,5-DIFLUOROPHENYL)-4,7,7-TRIMETHYL-2,3-DIOXOBICYCLO[2.2.1]HEPTANE-1-CARBOXAMIDE
| Molecular Formula | C17H17F2NO3 |
|---|---|
| Molecular Weight | 321.12 g/mol |
| LogP | 2.8678 |
| Topological Polar Surface Area | 63.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 321.11765 |
| Heavy Atoms | 23 |
| Complexity | 758.20544 |
Chemical Identifiers
| CAS Number | 727686-11-5 |
|---|---|
| SMILES | CC1(C2(CCC1(C(=O)C2=O)C(=O)NC3=C(C=CC(=C3)F)F)C)C |
Product Overview
A3801/0161330 (CAS 727686-11-5), with molecular formula C17H17F2NO3 and molecular weight 321.12 g/mol. IUPAC: N-(2,5-difluorophenyl)-4,7,7-trimethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide.
Chemical Property Profile of A3801/0161330
Property Insights of A3801/0161330
The XLogP value of 2.8678 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3801/0161330. The TPSA of 63.24 Ų falls within the moderate polarity range, balancing permeability and solubility for A3801/0161330. Following Lipinski's Rule of Five, A3801/0161330 has 1 hydrogen bond donor(s) and 3 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 A3801/0161330?
The CAS number of A3801/0161330 is 727686-11-5.
What is the molecular formula of A3801/0161330?
The molecular formula of A3801/0161330 is C17H17F2NO3.
What is the molecular weight of A3801/0161330?
The molecular weight of A3801/0161330 is 321.12 g/mol.
Where can I buy A3801/0161330?
You can request a quote for A3801/0161330 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3801/0161330?
Yes, KEHONG BIO provides custom synthesis services for A3801/0161330 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.