Benzoic acid, 2-butoxy-4-butylamino-, 3-piperidinopropyl ester
TL;DR: Benzoic acid, 2-butoxy-4-butylamino-, 3-piperidinopropyl ester (CAS 100311-20-4) is a chemical compound with molecular formula C23H38N2O3 and molecular weight 390.28824 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-piperidin-1-ylpropyl 2-butoxy-4-(butylamino)benzoate
Also Known As: BENZOIC ACID, 2-BUTOXY-4-BUTYLAMINO-, 3-PIPERIDINOPROPYL ESTER, 2-Butoxy-4-butylaminobenzoic acid 3-piperidinopropyl ester, 4-20-00-00497 (Beilstein Handbook Reference), 3-piperidin-1-ylpropyl 2-butoxy-4-(butylamino)benzoate, 3-(1-Piperidinyl)propyl 2-butoxy-4-(butylamino)benzoate
Technical Specifications
| Molecular Formula | C23H38N2O3 |
| Molecular Weight | 390.28824 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 14 |
| Exact Mass | 390.28824 Da |
| Heavy Atoms | 28 |
| Complexity | 413.0 |
| SMILES | CCCCNC1=CC(=C(C=C1)C(=O)OCCCN2CCCCC2)OCCCC |
| InChIKey | CFFITRKPHLULBB-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 2-butoxy-4-butylamino-, 3-piperidinopropyl ester
Property Insights of Benzoic acid, 2-butoxy-4-butylamino-, 3-piperidinopropyl ester
The XLogP value of 5.5 indicates that Benzoic acid, 2-butoxy-4-butylamino-, 3-piperidinopropyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.8 Ų, Benzoic acid, 2-butoxy-4-butylamino-, 3-piperidinopropyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-butoxy-4-butylamino-, 3-piperidinopropyl ester has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Benzoic acid, 2-butoxy-4-butylamino-, 3-piperidinopropyl ester?
The CAS number of Benzoic acid, 2-butoxy-4-butylamino-, 3-piperidinopropyl ester is 100311-20-4.
What is the molecular formula of Benzoic acid, 2-butoxy-4-butylamino-, 3-piperidinopropyl ester?
The molecular formula of Benzoic acid, 2-butoxy-4-butylamino-, 3-piperidinopropyl ester is C23H38N2O3.
What is the molecular weight of Benzoic acid, 2-butoxy-4-butylamino-, 3-piperidinopropyl ester?
The molecular weight of Benzoic acid, 2-butoxy-4-butylamino-, 3-piperidinopropyl ester is 390.28824 g/mol.
Where can I buy Benzoic acid, 2-butoxy-4-butylamino-, 3-piperidinopropyl ester?
You can request a quote for Benzoic acid, 2-butoxy-4-butylamino-, 3-piperidinopropyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 2-butoxy-4-butylamino-, 3-piperidinopropyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 2-butoxy-4-butylamino-, 3-piperidinopropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.