4-Methylpentyl 4-(dimethylamino)benzoate
TL;DR: 4-Methylpentyl 4-(dimethylamino)benzoate (CAS 84604-80-8) is a chemical compound with molecular formula C15H23NO2 and molecular weight 249.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylpentyl 4-(dimethylamino)benzoate
Also Known As: 4-Methylpentyl 4-(dimethylamino)benzoate, EINECS 283-364-5, 4-(Dimethylamino)benzoic acid 4-methylpentyl ester, Benzoic acid,4-(dimethylamino)-, 4-methylpentyl ester, 283-364-5
| Molecular Formula | C15H23NO2 |
|---|---|
| Molecular Weight | 249.17 g/mol |
| LogP | 3.3456 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 249.17288 |
| Heavy Atoms | 18 |
| Complexity | 368.58493 |
Chemical Identifiers
| CAS Number | 84604-80-8 |
|---|---|
| SMILES | CC(C)CCCOC(=O)C1=CC=C(C=C1)N(C)C |
Product Overview
4-Methylpentyl 4-(dimethylamino)benzoate (CAS 84604-80-8), with molecular formula C15H23NO2 and molecular weight 249.17 g/mol. IUPAC: 4-methylpentyl 4-(dimethylamino)benzoate.
Chemical Property Profile of 4-Methylpentyl 4-(dimethylamino)benzoate
Property Insights of 4-Methylpentyl 4-(dimethylamino)benzoate
The XLogP value of 3.3456 indicates that 4-Methylpentyl 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, 4-Methylpentyl 4-(dimethylamino)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylpentyl 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 4-Methylpentyl 4-(dimethylamino)benzoate?
The CAS number of 4-Methylpentyl 4-(dimethylamino)benzoate is 84604-80-8.
What is the molecular formula of 4-Methylpentyl 4-(dimethylamino)benzoate?
The molecular formula of 4-Methylpentyl 4-(dimethylamino)benzoate is C15H23NO2.
What is the molecular weight of 4-Methylpentyl 4-(dimethylamino)benzoate?
The molecular weight of 4-Methylpentyl 4-(dimethylamino)benzoate is 249.17 g/mol.
Where can I buy 4-Methylpentyl 4-(dimethylamino)benzoate?
You can request a quote for 4-Methylpentyl 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 4-Methylpentyl 4-(dimethylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylpentyl 4-(dimethylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.