5-(Diethylamino)pentyl benzoate--hydrogen chloride (1/1)
TL;DR: 5-(Diethylamino)pentyl benzoate--hydrogen chloride (1/1) (CAS 73713-59-4) is a chemical compound with molecular formula C16H26ClNO2 and molecular weight 299.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzoyloxypentyl(diethyl)azanium chloride
Also Known As: 5-benzoyloxypentyl(diethyl)azanium chloride, 5-(Diethylamino)-1-pentyl benzoate hydrochloride, Benzoate du diethylamino-pentanol chlorhydrate, Benzoate du diethylamino-pentanol chlorhydrate [French], BENZOIC ACID, 5-(DIETHYLAMINO)PENTYL ESTER, HYDROCHLORIDE
| Molecular Formula | C16H26ClNO2 |
|---|---|
| Molecular Weight | 299.17 g/mol |
| LogP | -1.06 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 299.1652 |
| Heavy Atoms | 20 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 73713-59-4 |
|---|---|
| SMILES | CC[NH+](CC)CCCCCOC(=O)C1=CC=CC=C1.[Cl-] |
| InChIKey | LWJUHLLDIFRVSQ-UHFFFAOYSA-N |
Product Overview
5-(Diethylamino)pentyl benzoate--hydrogen chloride (1/1) (CAS 73713-59-4), with molecular formula C16H26ClNO2 and molecular weight 299.17 g/mol. IUPAC: 5-benzoyloxypentyl(diethyl)azanium chloride.
Chemical Property Profile of 5-(Diethylamino)pentyl benzoate--hydrogen chloride (1/1)
Property Insights of 5-(Diethylamino)pentyl benzoate--hydrogen chloride (1/1)
The XLogP value of -1.06 indicates that 5-(Diethylamino)pentyl benzoate--hydrogen chloride (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 30.7 Ų, 5-(Diethylamino)pentyl benzoate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Diethylamino)pentyl benzoate--hydrogen chloride (1/1) has 1 hydrogen bond donor(s) and 3 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 5-(Diethylamino)pentyl benzoate--hydrogen chloride (1/1)?
The CAS number of 5-(Diethylamino)pentyl benzoate--hydrogen chloride (1/1) is 73713-59-4.
What is the molecular formula of 5-(Diethylamino)pentyl benzoate--hydrogen chloride (1/1)?
The molecular formula of 5-(Diethylamino)pentyl benzoate--hydrogen chloride (1/1) is C16H26ClNO2.
What is the molecular weight of 5-(Diethylamino)pentyl benzoate--hydrogen chloride (1/1)?
The molecular weight of 5-(Diethylamino)pentyl benzoate--hydrogen chloride (1/1) is 299.17 g/mol.
Where can I buy 5-(Diethylamino)pentyl benzoate--hydrogen chloride (1/1)?
You can request a quote for 5-(Diethylamino)pentyl 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 5-(Diethylamino)pentyl benzoate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 5-(Diethylamino)pentyl benzoate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.