1,2-Propanediol, 3-(dibutylamino)-, 2-benzoate 1-propanoate, hydrochloride
TL;DR: 1,2-Propanediol, 3-(dibutylamino)-, 2-benzoate 1-propanoate, hydrochloride (CAS 51734-78-2) is a chemical compound with molecular formula C21H34ClNO4 and molecular weight 399.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(dibutylamino)-3-propanoyloxypropan-2-yl] benzoate;hydrochloride
Also Known As: 3-(Dibutylamino)-1,2-propanediol 2-benzoate 1-propanoate hydrochloride, 1,2-Propanediol, 3-(dibutylamino)-, 2-benzoate 1-propanoate, hydrochloride, [1-(dibutylamino)-3-propanoyloxypropan-2-yl] benzoate hydrochloride, 1-(Dibutylamino)-3-(propanoyloxy)propan-2-yl benzoate--hydrogen chloride (1/1), RefChem:1052427
| Molecular Formula | C21H34ClNO4 |
|---|---|
| Molecular Weight | 399.22 g/mol |
| LogP | 4.4892 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 399.21765 |
| Heavy Atoms | 27 |
| Complexity | 516.1727 |
Chemical Identifiers
| CAS Number | 51734-78-2 |
|---|---|
| SMILES | CCCCN(CCCC)CC(COC(=O)CC)OC(=O)C1=CC=CC=C1.Cl |
Product Overview
1,2-Propanediol, 3-(dibutylamino)-, 2-benzoate 1-propanoate, hydrochloride (CAS 51734-78-2), with molecular formula C21H34ClNO4 and molecular weight 399.22 g/mol. IUPAC: [1-(dibutylamino)-3-propanoyloxypropan-2-yl] benzoate;hydrochloride.
Chemical Property Profile of 1,2-Propanediol, 3-(dibutylamino)-, 2-benzoate 1-propanoate, hydrochloride
Property Insights of 1,2-Propanediol, 3-(dibutylamino)-, 2-benzoate 1-propanoate, hydrochloride
The XLogP value of 4.4892 indicates that 1,2-Propanediol, 3-(dibutylamino)-, 2-benzoate 1-propanoate, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.84 Ų, 1,2-Propanediol, 3-(dibutylamino)-, 2-benzoate 1-propanoate, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Propanediol, 3-(dibutylamino)-, 2-benzoate 1-propanoate, hydrochloride has 0 hydrogen bond donor(s) and 5 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 1,2-Propanediol, 3-(dibutylamino)-, 2-benzoate 1-propanoate, hydrochloride?
The CAS number of 1,2-Propanediol, 3-(dibutylamino)-, 2-benzoate 1-propanoate, hydrochloride is 51734-78-2.
What is the molecular formula of 1,2-Propanediol, 3-(dibutylamino)-, 2-benzoate 1-propanoate, hydrochloride?
The molecular formula of 1,2-Propanediol, 3-(dibutylamino)-, 2-benzoate 1-propanoate, hydrochloride is C21H34ClNO4.
What is the molecular weight of 1,2-Propanediol, 3-(dibutylamino)-, 2-benzoate 1-propanoate, hydrochloride?
The molecular weight of 1,2-Propanediol, 3-(dibutylamino)-, 2-benzoate 1-propanoate, hydrochloride is 399.22 g/mol.
Where can I buy 1,2-Propanediol, 3-(dibutylamino)-, 2-benzoate 1-propanoate, hydrochloride?
You can request a quote for 1,2-Propanediol, 3-(dibutylamino)-, 2-benzoate 1-propanoate, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Propanediol, 3-(dibutylamino)-, 2-benzoate 1-propanoate, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Propanediol, 3-(dibutylamino)-, 2-benzoate 1-propanoate, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.