3-(Diethylamino)propyl 4-butoxybenzoate
TL;DR: 3-(Diethylamino)propyl 4-butoxybenzoate (CAS 76-91-5) is a chemical compound with molecular formula C18H29NO3 and molecular weight 307.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(diethylamino)propyl 4-butoxybenzoate
Also Known As: TOPICAINE, dimethyl 3-nitrophthalate, 3-(diethylamino)propyl 4-butoxybenzoate, 3-diethylaminopropyl 4-butoxybenzoate, 3-Diethylaminopropyl p-butoxybenzoate
| Molecular Formula | C18H29NO3 |
|---|---|
| Molecular Weight | 307.21 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 307.21475 |
| Heavy Atoms | 22 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 76-91-5 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C(=O)OCCCN(CC)CC |
| InChIKey | WBSPEOVJZILIPJ-UHFFFAOYSA-N |
Product Overview
3-(Diethylamino)propyl 4-butoxybenzoate (CAS 76-91-5), with molecular formula C18H29NO3 and molecular weight 307.21 g/mol. IUPAC: 3-(diethylamino)propyl 4-butoxybenzoate.
Chemical Property Profile of 3-(Diethylamino)propyl 4-butoxybenzoate
Property Insights of 3-(Diethylamino)propyl 4-butoxybenzoate
The XLogP value of 5.0 indicates that 3-(Diethylamino)propyl 4-butoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, 3-(Diethylamino)propyl 4-butoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Diethylamino)propyl 4-butoxybenzoate has 0 hydrogen bond donor(s) and 4 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 3-(Diethylamino)propyl 4-butoxybenzoate?
The CAS number of 3-(Diethylamino)propyl 4-butoxybenzoate is 76-91-5.
What is the molecular formula of 3-(Diethylamino)propyl 4-butoxybenzoate?
The molecular formula of 3-(Diethylamino)propyl 4-butoxybenzoate is C18H29NO3.
What is the molecular weight of 3-(Diethylamino)propyl 4-butoxybenzoate?
The molecular weight of 3-(Diethylamino)propyl 4-butoxybenzoate is 307.21 g/mol.
Where can I buy 3-(Diethylamino)propyl 4-butoxybenzoate?
You can request a quote for 3-(Diethylamino)propyl 4-butoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Diethylamino)propyl 4-butoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(Diethylamino)propyl 4-butoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.