1-Butoxy-3-(dibutylamino)propan-2-yl benzoate--hydrogen chloride (1/1)
TL;DR: 1-Butoxy-3-(dibutylamino)propan-2-yl benzoate--hydrogen chloride (1/1) (CAS 51734-49-7) is a chemical compound with molecular formula C22H38ClNO3 and molecular weight 399.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-butoxy-3-(dibutylamino)propan-2-yl] benzoate;hydrochloride
Also Known As: 1-Butoxy-3-(dibutylamino)-2-propanol benzoate hydrochloride, 2-Propanol, 1-butoxy-3-(dibutylamino)-, benzoate (ester), hydrochloride, [1-butoxy-3-(dibutylamino)propan-2-yl] benzoate hydrochloride, 1-Butoxy-3-(dibutylamino)propan-2-yl benzoate--hydrogen chloride (1/1), RefChem:1055152
| Molecular Formula | C22H38ClNO3 |
|---|---|
| Molecular Weight | 399.25 g/mol |
| LogP | 5.3527 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 15 |
| Exact Mass | 399.25403 |
| Heavy Atoms | 27 |
| Complexity | 461.8855 |
Chemical Identifiers
| CAS Number | 51734-49-7 |
|---|---|
| SMILES | CCCCN(CCCC)CC(COCCCC)OC(=O)C1=CC=CC=C1.Cl |
Product Overview
1-Butoxy-3-(dibutylamino)propan-2-yl benzoate--hydrogen chloride (1/1) (CAS 51734-49-7), with molecular formula C22H38ClNO3 and molecular weight 399.25 g/mol. IUPAC: [1-butoxy-3-(dibutylamino)propan-2-yl] benzoate;hydrochloride.
Chemical Property Profile of 1-Butoxy-3-(dibutylamino)propan-2-yl benzoate--hydrogen chloride (1/1)
Property Insights of 1-Butoxy-3-(dibutylamino)propan-2-yl benzoate--hydrogen chloride (1/1)
The XLogP value of 5.3527 indicates that 1-Butoxy-3-(dibutylamino)propan-2-yl benzoate--hydrogen chloride (1/1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.77 Ų, 1-Butoxy-3-(dibutylamino)propan-2-yl benzoate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butoxy-3-(dibutylamino)propan-2-yl benzoate--hydrogen chloride (1/1) has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Butoxy-3-(dibutylamino)propan-2-yl benzoate--hydrogen chloride (1/1)?
The CAS number of 1-Butoxy-3-(dibutylamino)propan-2-yl benzoate--hydrogen chloride (1/1) is 51734-49-7.
What is the molecular formula of 1-Butoxy-3-(dibutylamino)propan-2-yl benzoate--hydrogen chloride (1/1)?
The molecular formula of 1-Butoxy-3-(dibutylamino)propan-2-yl benzoate--hydrogen chloride (1/1) is C22H38ClNO3.
What is the molecular weight of 1-Butoxy-3-(dibutylamino)propan-2-yl benzoate--hydrogen chloride (1/1)?
The molecular weight of 1-Butoxy-3-(dibutylamino)propan-2-yl benzoate--hydrogen chloride (1/1) is 399.25 g/mol.
Where can I buy 1-Butoxy-3-(dibutylamino)propan-2-yl benzoate--hydrogen chloride (1/1)?
You can request a quote for 1-Butoxy-3-(dibutylamino)propan-2-yl benzoate--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butoxy-3-(dibutylamino)propan-2-yl benzoate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 1-Butoxy-3-(dibutylamino)propan-2-yl benzoate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.