1-(Diethylamino)propan-2-yl 3-bromobenzoate
TL;DR: 1-(Diethylamino)propan-2-yl 3-bromobenzoate (CAS 733012-46-9) is a chemical compound with molecular formula C14H20BrNO2 and molecular weight 313.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(diethylamino)propan-2-yl 3-bromobenzoate
Also Known As: 1-(diethylamino)propan-2-yl 3-bromobenzoate, 1-diethylaminopropan-2-yl 3-bromobenzoate
| Molecular Formula | C14H20BrNO2 |
|---|---|
| Molecular Weight | 313.07 g/mol |
| LogP | 3.3362 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 313.06775 |
| Heavy Atoms | 18 |
| Complexity | 391.1353 |
Chemical Identifiers
| CAS Number | 733012-46-9 |
|---|---|
| SMILES | CCN(CC)CC(C)OC(=O)C1=CC(=CC=C1)Br |
Product Overview
1-(Diethylamino)propan-2-yl 3-bromobenzoate (CAS 733012-46-9), with molecular formula C14H20BrNO2 and molecular weight 313.07 g/mol. IUPAC: 1-(diethylamino)propan-2-yl 3-bromobenzoate.
Chemical Property Profile of 1-(Diethylamino)propan-2-yl 3-bromobenzoate
Property Insights of 1-(Diethylamino)propan-2-yl 3-bromobenzoate
The XLogP value of 3.3362 indicates that 1-(Diethylamino)propan-2-yl 3-bromobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, 1-(Diethylamino)propan-2-yl 3-bromobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Diethylamino)propan-2-yl 3-bromobenzoate has 0 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 1-(Diethylamino)propan-2-yl 3-bromobenzoate?
The CAS number of 1-(Diethylamino)propan-2-yl 3-bromobenzoate is 733012-46-9.
What is the molecular formula of 1-(Diethylamino)propan-2-yl 3-bromobenzoate?
The molecular formula of 1-(Diethylamino)propan-2-yl 3-bromobenzoate is C14H20BrNO2.
What is the molecular weight of 1-(Diethylamino)propan-2-yl 3-bromobenzoate?
The molecular weight of 1-(Diethylamino)propan-2-yl 3-bromobenzoate is 313.07 g/mol.
Where can I buy 1-(Diethylamino)propan-2-yl 3-bromobenzoate?
You can request a quote for 1-(Diethylamino)propan-2-yl 3-bromobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Diethylamino)propan-2-yl 3-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 1-(Diethylamino)propan-2-yl 3-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.