N-(2-adamantyl)-1,3-benzodioxole-5-carboxamide
TL;DR: N-(2-adamantyl)-1,3-benzodioxole-5-carboxamide (CAS 677306-14-8) is a chemical compound with molecular formula C18H21NO3 and molecular weight 299.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-adamantyl)-1,3-benzodioxole-5-carboxamide
Also Known As: N-(2-adamantyl)-1,3-benzodioxole-5-carboxamide, J1.978.526B, N-(Adamantane-2-yl)-1,3-benzodioxole-5-carboxamide, N-(tricyclo[3.3.1.1~3,7~]dec-2-yl)-1,3-benzodioxole-5-carboxamide, N-(ADAMANTAN-2-YL)-2H-1,3-BENZODIOXOLE-5-CARBOXAMIDE
| Molecular Formula | C18H21NO3 |
|---|---|
| Molecular Weight | 299.15 g/mol |
| LogP | 2.9698 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 299.15213 |
| Heavy Atoms | 22 |
| Complexity | 598.7583 |
Chemical Identifiers
| CAS Number | 677306-14-8 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)C3NC(=O)C4=CC5=C(C=C4)OCO5 |
Product Overview
N-(2-adamantyl)-1,3-benzodioxole-5-carboxamide (CAS 677306-14-8), with molecular formula C18H21NO3 and molecular weight 299.15 g/mol. IUPAC: N-(2-adamantyl)-1,3-benzodioxole-5-carboxamide.
Chemical Property Profile of N-(2-adamantyl)-1,3-benzodioxole-5-carboxamide
Property Insights of N-(2-adamantyl)-1,3-benzodioxole-5-carboxamide
The XLogP value of 2.9698 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-adamantyl)-1,3-benzodioxole-5-carboxamide. With a topological polar surface area (TPSA) of 47.56 Ų, N-(2-adamantyl)-1,3-benzodioxole-5-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-adamantyl)-1,3-benzodioxole-5-carboxamide 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 N-(2-adamantyl)-1,3-benzodioxole-5-carboxamide?
The CAS number of N-(2-adamantyl)-1,3-benzodioxole-5-carboxamide is 677306-14-8.
What is the molecular formula of N-(2-adamantyl)-1,3-benzodioxole-5-carboxamide?
The molecular formula of N-(2-adamantyl)-1,3-benzodioxole-5-carboxamide is C18H21NO3.
What is the molecular weight of N-(2-adamantyl)-1,3-benzodioxole-5-carboxamide?
The molecular weight of N-(2-adamantyl)-1,3-benzodioxole-5-carboxamide is 299.15 g/mol.
Where can I buy N-(2-adamantyl)-1,3-benzodioxole-5-carboxamide?
You can request a quote for N-(2-adamantyl)-1,3-benzodioxole-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-adamantyl)-1,3-benzodioxole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-adamantyl)-1,3-benzodioxole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.