Heptyl 4-(dimethylamino)benzoate
TL;DR: Heptyl 4-(dimethylamino)benzoate (CAS 84604-77-3) is a chemical compound with molecular formula C16H25NO2 and molecular weight 263.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptyl 4-(dimethylamino)benzoate
Also Known As: Heptyl 4-(dimethylamino)benzoate, heptyl4- benzoate, EINECS 283-360-3, p-(Dimethylamino)benzoic acid heptyl ester, HEPTYL P-(DIMETHYLAMINO)BENZOATE
| Molecular Formula | C16H25NO2 |
|---|---|
| Molecular Weight | 263.19 g/mol |
| LogP | 3.8798 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 263.18854 |
| Heavy Atoms | 19 |
| Complexity | 370.84024 |
Chemical Identifiers
| CAS Number | 84604-77-3 |
|---|---|
| SMILES | CCCCCCCOC(=O)C1=CC=C(C=C1)N(C)C |
Product Overview
Heptyl 4-(dimethylamino)benzoate (CAS 84604-77-3), with molecular formula C16H25NO2 and molecular weight 263.19 g/mol. IUPAC: heptyl 4-(dimethylamino)benzoate.
Chemical Property Profile of Heptyl 4-(dimethylamino)benzoate
Property Insights of Heptyl 4-(dimethylamino)benzoate
The XLogP value of 3.8798 indicates that Heptyl 4-(dimethylamino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, Heptyl 4-(dimethylamino)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptyl 4-(dimethylamino)benzoate has 0 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 Heptyl 4-(dimethylamino)benzoate?
The CAS number of Heptyl 4-(dimethylamino)benzoate is 84604-77-3.
What is the molecular formula of Heptyl 4-(dimethylamino)benzoate?
The molecular formula of Heptyl 4-(dimethylamino)benzoate is C16H25NO2.
What is the molecular weight of Heptyl 4-(dimethylamino)benzoate?
The molecular weight of Heptyl 4-(dimethylamino)benzoate is 263.19 g/mol.
Where can I buy Heptyl 4-(dimethylamino)benzoate?
You can request a quote for Heptyl 4-(dimethylamino)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-(dimethylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Heptyl 4-(dimethylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.