AF-399/42177170
TL;DR: AF-399/42177170 (CAS 622355-59-3) is a chemical compound with molecular formula C18H19NO5 and molecular weight 329.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-4,7,7-trimethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide
Also Known As: AF-399/42177170, F1716-0091, N-(1,3-benzodioxol-5-yl)-4,7,7-trimethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide, N-(2H-1,3-BENZODIOXOL-5-YL)-4,7,7-TRIMETHYL-2,3-DIOXOBICYCLO[2.2.1]HEPTANE-1-CARBOXAMIDE, N-(1,3-benzodioxol-5-yl)-1,7,7-trimethyl-2,3-dioxobicyclo[2.2.1]heptane-4-carboxamide
| Molecular Formula | C18H19NO5 |
|---|---|
| Molecular Weight | 329.13 g/mol |
| LogP | 2.3183 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 329.1263 |
| Heavy Atoms | 24 |
| Complexity | 798.5989 |
Chemical Identifiers
| CAS Number | 622355-59-3 |
|---|---|
| SMILES | CC1(C2(CCC1(C(=O)C2=O)C(=O)NC3=CC4=C(C=C3)OCO4)C)C |
Product Overview
AF-399/42177170 (CAS 622355-59-3), with molecular formula C18H19NO5 and molecular weight 329.13 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-4,7,7-trimethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide.
Chemical Property Profile of AF-399/42177170
Property Insights of AF-399/42177170
The XLogP value of 2.3183 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AF-399/42177170. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/42177170. Following Lipinski's Rule of Five, AF-399/42177170 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 AF-399/42177170?
The CAS number of AF-399/42177170 is 622355-59-3.
What is the molecular formula of AF-399/42177170?
The molecular formula of AF-399/42177170 is C18H19NO5.
What is the molecular weight of AF-399/42177170?
The molecular weight of AF-399/42177170 is 329.13 g/mol.
Where can I buy AF-399/42177170?
You can request a quote for AF-399/42177170 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/42177170?
Yes, KEHONG BIO provides custom synthesis services for AF-399/42177170 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.