Heptyl 4-(2-adamantanylacetylamino)benzoate
TL;DR: Heptyl 4-(2-adamantanylacetylamino)benzoate (CAS 698986-07-1) is a chemical compound with molecular formula C26H37NO3 and molecular weight 411.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptyl 4-[[2-(1-adamantyl)acetyl]amino]benzoate
Also Known As: heptyl 4-(2-adamantanylacetylamino)benzoate, heptyl 4-[(1-adamantylacetyl)amino]benzoate, heptyl 4-(2-(adamantan-1-yl)acetamido)benzoate, heptyl 4-[[2-(1-adamantyl)acetyl]amino]benzoate, A3670/0155583
| Molecular Formula | C26H37NO3 |
|---|---|
| Molecular Weight | 411.28 g/mol |
| LogP | 6.3588 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 411.27734 |
| Heavy Atoms | 30 |
| Complexity | 703.86633 |
Chemical Identifiers
| CAS Number | 698986-07-1 |
|---|---|
| SMILES | CCCCCCCOC(=O)C1=CC=C(C=C1)NC(=O)CC23CC4CC(C2)CC(C4)C3 |
Product Overview
Heptyl 4-(2-adamantanylacetylamino)benzoate (CAS 698986-07-1), with molecular formula C26H37NO3 and molecular weight 411.28 g/mol. IUPAC: heptyl 4-[[2-(1-adamantyl)acetyl]amino]benzoate.
Chemical Property Profile of Heptyl 4-(2-adamantanylacetylamino)benzoate
Property Insights of Heptyl 4-(2-adamantanylacetylamino)benzoate
The XLogP value of 6.3588 indicates that Heptyl 4-(2-adamantanylacetylamino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Heptyl 4-(2-adamantanylacetylamino)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptyl 4-(2-adamantanylacetylamino)benzoate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Heptyl 4-(2-adamantanylacetylamino)benzoate?
The CAS number of Heptyl 4-(2-adamantanylacetylamino)benzoate is 698986-07-1.
What is the molecular formula of Heptyl 4-(2-adamantanylacetylamino)benzoate?
The molecular formula of Heptyl 4-(2-adamantanylacetylamino)benzoate is C26H37NO3.
What is the molecular weight of Heptyl 4-(2-adamantanylacetylamino)benzoate?
The molecular weight of Heptyl 4-(2-adamantanylacetylamino)benzoate is 411.28 g/mol.
Where can I buy Heptyl 4-(2-adamantanylacetylamino)benzoate?
You can request a quote for Heptyl 4-(2-adamantanylacetylamino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptyl 4-(2-adamantanylacetylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Heptyl 4-(2-adamantanylacetylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.