Heptanoic acid, 2-phenyl-, 3-(diethylamino)propyl ester, hydrochloride
TL;DR: Heptanoic acid, 2-phenyl-, 3-(diethylamino)propyl ester, hydrochloride (CAS 78265-99-3) is a chemical compound with molecular formula C20H34ClNO2 and molecular weight 355.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[3-(2-phenylheptanoyloxy)propyl]azanium chloride
Also Known As: C 2000, (3-(Diethylamino)propyl) 2-phenylheptanoate hydrochloride, C-2000, diethyl-[3-(2-phenylheptanoyloxy)propyl]azanium chloride, HEPTANOIC ACID, 2-PHENYL-, 3-(DIETHYLAMINO)PROPYL ESTER, HYDROCHLORIDE
| Molecular Formula | C20H34ClNO2 |
|---|---|
| Molecular Weight | 355.23 g/mol |
| LogP | 0.21 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 13 |
| Exact Mass | 355.2278 |
| Heavy Atoms | 24 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 78265-99-3 |
|---|---|
| SMILES | CCCCCC(C1=CC=CC=C1)C(=O)OCCC[NH+](CC)CC.[Cl-] |
| InChIKey | UTLQFNPZWCRAIP-UHFFFAOYSA-N |
Product Overview
Heptanoic acid, 2-phenyl-, 3-(diethylamino)propyl ester, hydrochloride (CAS 78265-99-3), with molecular formula C20H34ClNO2 and molecular weight 355.23 g/mol. IUPAC: diethyl-[3-(2-phenylheptanoyloxy)propyl]azanium chloride.
Chemical Property Profile of Heptanoic acid, 2-phenyl-, 3-(diethylamino)propyl ester, hydrochloride
Property Insights of Heptanoic acid, 2-phenyl-, 3-(diethylamino)propyl ester, hydrochloride
The XLogP value of 0.21 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Heptanoic acid, 2-phenyl-, 3-(diethylamino)propyl ester, hydrochloride. With a topological polar surface area (TPSA) of 30.7 Ų, Heptanoic acid, 2-phenyl-, 3-(diethylamino)propyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptanoic acid, 2-phenyl-, 3-(diethylamino)propyl ester, hydrochloride 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 Heptanoic acid, 2-phenyl-, 3-(diethylamino)propyl ester, hydrochloride?
The CAS number of Heptanoic acid, 2-phenyl-, 3-(diethylamino)propyl ester, hydrochloride is 78265-99-3.
What is the molecular formula of Heptanoic acid, 2-phenyl-, 3-(diethylamino)propyl ester, hydrochloride?
The molecular formula of Heptanoic acid, 2-phenyl-, 3-(diethylamino)propyl ester, hydrochloride is C20H34ClNO2.
What is the molecular weight of Heptanoic acid, 2-phenyl-, 3-(diethylamino)propyl ester, hydrochloride?
The molecular weight of Heptanoic acid, 2-phenyl-, 3-(diethylamino)propyl ester, hydrochloride is 355.23 g/mol.
Where can I buy Heptanoic acid, 2-phenyl-, 3-(diethylamino)propyl ester, hydrochloride?
You can request a quote for Heptanoic acid, 2-phenyl-, 3-(diethylamino)propyl ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptanoic acid, 2-phenyl-, 3-(diethylamino)propyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Heptanoic acid, 2-phenyl-, 3-(diethylamino)propyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.