1-(Benzyloxy)-3-(diethylamino)propan-2-YL heptanoate
TL;DR: 1-(Benzyloxy)-3-(diethylamino)propan-2-YL heptanoate (CAS 372084-39-4) is a chemical compound with molecular formula C21H35NO3 and molecular weight 349.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(diethylamino)-3-phenylmethoxypropan-2-yl] heptanoate
Also Known As: 1-(BENZYLOXY)-3-(DIETHYLAMINO)PROPAN-2-YL HEPTANOATE, (1-diethylamino-3-phenylmethoxy-propan-2-yl) Heptanoate, [1-(diethylamino)-3-phenylmethoxypropan-2-yl] heptanoate
| Molecular Formula | C21H35NO3 |
|---|---|
| Molecular Weight | 349.26 g/mol |
| LogP | 4.4272 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 349.2617 |
| Heavy Atoms | 25 |
| Complexity | 445.7142 |
Chemical Identifiers
| CAS Number | 372084-39-4 |
|---|---|
| SMILES | CCCCCCC(=O)OC(CN(CC)CC)COCC1=CC=CC=C1 |
Product Overview
1-(Benzyloxy)-3-(diethylamino)propan-2-YL heptanoate (CAS 372084-39-4), with molecular formula C21H35NO3 and molecular weight 349.26 g/mol. IUPAC: [1-(diethylamino)-3-phenylmethoxypropan-2-yl] heptanoate.
Chemical Property Profile of 1-(Benzyloxy)-3-(diethylamino)propan-2-YL heptanoate
Property Insights of 1-(Benzyloxy)-3-(diethylamino)propan-2-YL heptanoate
The XLogP value of 4.4272 indicates that 1-(Benzyloxy)-3-(diethylamino)propan-2-YL heptanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.77 Ų, 1-(Benzyloxy)-3-(diethylamino)propan-2-YL heptanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Benzyloxy)-3-(diethylamino)propan-2-YL heptanoate has 0 hydrogen bond donor(s) and 4 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-(Benzyloxy)-3-(diethylamino)propan-2-YL heptanoate?
The CAS number of 1-(Benzyloxy)-3-(diethylamino)propan-2-YL heptanoate is 372084-39-4.
What is the molecular formula of 1-(Benzyloxy)-3-(diethylamino)propan-2-YL heptanoate?
The molecular formula of 1-(Benzyloxy)-3-(diethylamino)propan-2-YL heptanoate is C21H35NO3.
What is the molecular weight of 1-(Benzyloxy)-3-(diethylamino)propan-2-YL heptanoate?
The molecular weight of 1-(Benzyloxy)-3-(diethylamino)propan-2-YL heptanoate is 349.26 g/mol.
Where can I buy 1-(Benzyloxy)-3-(diethylamino)propan-2-YL heptanoate?
You can request a quote for 1-(Benzyloxy)-3-(diethylamino)propan-2-YL heptanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Benzyloxy)-3-(diethylamino)propan-2-YL heptanoate?
Yes, KEHONG BIO provides custom synthesis services for 1-(Benzyloxy)-3-(diethylamino)propan-2-YL heptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.