3,4-二苯甲酰多巴胺
TL;DR: 3,4-二苯甲酰多巴胺 (CAS 5443-37-8) is a chemical compound with molecular formula C22H19NO4 and molecular weight 361.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-二苯甲酰多巴胺
[4-(2-aminoethyl)-2-benzoyloxyphenyl] benzoate
Also Known As: 3,4-Dibenzoyl dopamine, Dopamine 3,4-benzoyl ester, KST-1B5288, [4-(2-aminoethyl)-2-benzoyloxyphenyl] benzoate, 4-(2-Aminoethyl)-1,2-phenylene dibenzoate
| Molecular Formula | C22H19NO4 |
|---|---|
| Molecular Weight | 361.13 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 78.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 361.1314 |
| Heavy Atoms | 27 |
| Complexity | 483.0 |
Chemical Identifiers
| CAS Number | 5443-37-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)CCN)OC(=O)C3=CC=CC=C3 |
| InChIKey | SOLDHABFOYNUBA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-二苯甲酰多巴胺 (CAS 5443-37-8), with molecular formula C22H19NO4 and molecular weight 361.13 g/mol. IUPAC: [4-(2-aminoethyl)-2-benzoyloxyphenyl] benzoate.
Chemical Property Profile of 3,4-二苯甲酰多巴胺
Property Insights of 3,4-二苯甲酰多巴胺
The XLogP value of 3.6 indicates that 3,4-二苯甲酰多巴胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-二苯甲酰多巴胺. Following Lipinski's Rule of Five, 3,4-二苯甲酰多巴胺 has 1 hydrogen bond donor(s) and 5 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 3,4-二苯甲酰多巴胺?
The CAS number of 3,4-二苯甲酰多巴胺 is 5443-37-8.
What is the molecular formula of 3,4-二苯甲酰多巴胺?
The molecular formula of 3,4-二苯甲酰多巴胺 is C22H19NO4.
What is the molecular weight of 3,4-二苯甲酰多巴胺?
The molecular weight of 3,4-二苯甲酰多巴胺 is 361.13 g/mol.
Where can I buy 3,4-二苯甲酰多巴胺?
You can request a quote for 3,4-二苯甲酰多巴胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-二苯甲酰多巴胺?
Yes, KEHONG BIO provides custom synthesis services for 3,4-二苯甲酰多巴胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.