3-(Diethylamino)propyl 2-ethyl-2-methylhexanoate--hydrogen chloride (1/1)
TL;DR: 3-(Diethylamino)propyl 2-ethyl-2-methylhexanoate--hydrogen chloride (1/1) (CAS 4847-94-3) is a chemical compound with molecular formula C16H34ClNO2 and molecular weight 307.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(diethylamino)propyl 2-ethyl-2-methylhexanoate;hydrochloride
Also Known As: Diethylaminopropyl 2-ethyl-2-methylhexanoate hydrochloride, 4,6-Diphenyl-2-(2,4-dihydroxyphenyl)-s-triazine, 3-(diethylamino)propyl 2-ethyl-2-methylhexanoate hydrochloride(1:1), 3-(diethylamino)propyl 2-ethyl-2-methylhexanoate hydrochloride, 3-(Diethylamino)propyl 2-ethyl-2-methylhexanoate--hydrogen chloride (1/1)
| Molecular Formula | C16H34ClNO2 |
|---|---|
| Molecular Weight | 307.23 g/mol |
| LogP | 4.2898 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 307.2278 |
| Heavy Atoms | 20 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 4847-94-3 |
|---|---|
| SMILES | CCCCC(C)(CC)C(=O)OCCCN(CC)CC.Cl |
| InChIKey | USIIGLVAVCCXCS-UHFFFAOYSA-N |
Product Overview
3-(Diethylamino)propyl 2-ethyl-2-methylhexanoate--hydrogen chloride (1/1) (CAS 4847-94-3), with molecular formula C16H34ClNO2 and molecular weight 307.23 g/mol. IUPAC: 3-(diethylamino)propyl 2-ethyl-2-methylhexanoate;hydrochloride.
Chemical Property Profile of 3-(Diethylamino)propyl 2-ethyl-2-methylhexanoate--hydrogen chloride (1/1)
Property Insights of 3-(Diethylamino)propyl 2-ethyl-2-methylhexanoate--hydrogen chloride (1/1)
The XLogP value of 4.2898 indicates that 3-(Diethylamino)propyl 2-ethyl-2-methylhexanoate--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 29.5 Ų, 3-(Diethylamino)propyl 2-ethyl-2-methylhexanoate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Diethylamino)propyl 2-ethyl-2-methylhexanoate--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 3-(Diethylamino)propyl 2-ethyl-2-methylhexanoate--hydrogen chloride (1/1)?
The CAS number of 3-(Diethylamino)propyl 2-ethyl-2-methylhexanoate--hydrogen chloride (1/1) is 4847-94-3.
What is the molecular formula of 3-(Diethylamino)propyl 2-ethyl-2-methylhexanoate--hydrogen chloride (1/1)?
The molecular formula of 3-(Diethylamino)propyl 2-ethyl-2-methylhexanoate--hydrogen chloride (1/1) is C16H34ClNO2.
What is the molecular weight of 3-(Diethylamino)propyl 2-ethyl-2-methylhexanoate--hydrogen chloride (1/1)?
The molecular weight of 3-(Diethylamino)propyl 2-ethyl-2-methylhexanoate--hydrogen chloride (1/1) is 307.23 g/mol.
Where can I buy 3-(Diethylamino)propyl 2-ethyl-2-methylhexanoate--hydrogen chloride (1/1)?
You can request a quote for 3-(Diethylamino)propyl 2-ethyl-2-methylhexanoate--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 3-(Diethylamino)propyl 2-ethyl-2-methylhexanoate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 3-(Diethylamino)propyl 2-ethyl-2-methylhexanoate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.