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 399.21765 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[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)
Technical Specifications
| Molecular Formula | C21H34ClNO4 |
| Molecular Weight | 399.21765 g/mol |
| XLogP | 4.4892 |
| Topological Polar Surface Area (TPSA) | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 15 |
| Exact Mass | 399.21765 Da |
| Heavy Atoms | 27 |
| Complexity | 385.0 |
| SMILES | CCCCN(CCCC)CC(COC(=O)CC)OC(=O)C1=CC=CC=C1.Cl |
| InChIKey | AXECUULQTMQXAI-UHFFFAOYSA-N |
Product Description
Applications: 1,2-Propanediol, 3-(dibutylamino)-, 2-benzoate 1-propanoate, hydrochloride is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
1,2-Propanediol, 3-(dibutylamino)-, 2-benzoate 1-propanoate, hydrochloride (CAS 51734-78-2) is a fine chemical with the molecular formula C21H34ClNO4 and a molecular weight of 399.22 g/mol. Synonyms include 3-(Dibutylamino)-1,2-propanediol 2-benzoate 1-propanoate hydrochloride and 1,2-Propanediol, 3-(dibutylamino)-, 2-benzoate 1-propanoate, hydrochloride.
Custom synthesis (mg to ton scale), HPLC/NMR/MS analytical support, and complete COA/MSDS documentation are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
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 55.8 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 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
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 399.21765 g/mol.
What are the applications of 1,2-Propanediol, 3-(dibutylamino)-, 2-benzoate 1-propanoate, hydrochloride?
1,2-Propanediol, 3-(dibutylamino)-, 2-benzoate 1-propanoate, hydrochloride is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale),...
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 CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,2-Propanediol, 3-(dibutylamino)-, 2-benzoate 1-propanoate, hydrochloride?
Yes, CoreyChem 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.