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Methyl 2-(benzoyloxy)-4-[bis(2-hydroxyethyl)amino]benzoate
TL;DR: Methyl 2-(benzoyloxy)-4-[bis(2-hydroxyethyl)amino]benzoate (CAS 7150-99-4) is a chemical compound with molecular formula C19H21NO6 and molecular weight 359.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-benzoyloxy-4-[bis(2-hydroxyethyl)amino]benzoate
Also Known As: methyl 2-(benzoyloxy)-4-[bis(2-hydroxyethyl)amino]benzoate, methyl 2-benzoyloxy-4-[bis(2-hydroxyethyl)amino]benzoate, 3-[3-(Dimethylamino)propyl]-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione
| Molecular Formula | C19H21NO6 |
|---|---|
| Molecular Weight | 359.14 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 96.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 359.1369 |
| Heavy Atoms | 26 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 7150-99-4 |
|---|---|
| SMILES | COC(=O)C1=C(C=C(C=C1)N(CCO)CCO)OC(=O)C2=CC=CC=C2 |
| InChIKey | KAQQLFZBLGVILT-UHFFFAOYSA-N |
Product Overview
Methyl 2-(benzoyloxy)-4-[bis(2-hydroxyethyl)amino]benzoate (CAS 7150-99-4), with molecular formula C19H21NO6 and molecular weight 359.14 g/mol. IUPAC: methyl 2-benzoyloxy-4-[bis(2-hydroxyethyl)amino]benzoate.
Chemical Property Profile of Methyl 2-(benzoyloxy)-4-[bis(2-hydroxyethyl)amino]benzoate
Property Insights of Methyl 2-(benzoyloxy)-4-[bis(2-hydroxyethyl)amino]benzoate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(benzoyloxy)-4-[bis(2-hydroxyethyl)amino]benzoate. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(benzoyloxy)-4-[bis(2-hydroxyethyl)amino]benzoate. Following Lipinski's Rule of Five, Methyl 2-(benzoyloxy)-4-[bis(2-hydroxyethyl)amino]benzoate has 2 hydrogen bond donor(s) and 7 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 Methyl 2-(benzoyloxy)-4-[bis(2-hydroxyethyl)amino]benzoate?
The CAS number of Methyl 2-(benzoyloxy)-4-[bis(2-hydroxyethyl)amino]benzoate is 7150-99-4.
What is the molecular formula of Methyl 2-(benzoyloxy)-4-[bis(2-hydroxyethyl)amino]benzoate?
The molecular formula of Methyl 2-(benzoyloxy)-4-[bis(2-hydroxyethyl)amino]benzoate is C19H21NO6.
What is the molecular weight of Methyl 2-(benzoyloxy)-4-[bis(2-hydroxyethyl)amino]benzoate?
The molecular weight of Methyl 2-(benzoyloxy)-4-[bis(2-hydroxyethyl)amino]benzoate is 359.14 g/mol.
Where can I buy Methyl 2-(benzoyloxy)-4-[bis(2-hydroxyethyl)amino]benzoate?
You can request a quote for Methyl 2-(benzoyloxy)-4-[bis(2-hydroxyethyl)amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(benzoyloxy)-4-[bis(2-hydroxyethyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(benzoyloxy)-4-[bis(2-hydroxyethyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.