Ethyldihydroxypropyl aminobenzoate
TL;DR: Ethyldihydroxypropyl aminobenzoate (CAS 79461-57-7) is a chemical compound with molecular formula C12H17NO4 and molecular weight 239.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(2,3-dihydroxypropylamino)benzoate
Also Known As: ethyldihydroxypropyl aminobenzoate, Ethyldihydroxypropyl aminobenzoate [WHO-DD], Ethyl 4-(2,3-dihydroxypropylamino)benzoate, Benzoic acid, 4-((2,3-dihydroxypropyl)amino)-, ethyl ester, Benzoic acid, 4-[(2,3-dihydroxypropyl)amino]-, ethyl ester
| Molecular Formula | C12H17NO4 |
|---|---|
| Molecular Weight | 239.12 g/mol |
| LogP | 0.6284 |
| Topological Polar Surface Area | 78.79 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 239.11575 |
| Heavy Atoms | 17 |
| Complexity | 350.0282 |
Chemical Identifiers
| CAS Number | 79461-57-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NCC(CO)O |
Product Overview
Ethyldihydroxypropyl aminobenzoate (CAS 79461-57-7), with molecular formula C12H17NO4 and molecular weight 239.12 g/mol. IUPAC: ethyl 4-(2,3-dihydroxypropylamino)benzoate.
Chemical Property Profile of Ethyldihydroxypropyl aminobenzoate
Property Insights of Ethyldihydroxypropyl aminobenzoate
The XLogP value of 0.6284 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyldihydroxypropyl aminobenzoate. The TPSA of 78.79 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyldihydroxypropyl aminobenzoate. Following Lipinski's Rule of Five, Ethyldihydroxypropyl aminobenzoate has 3 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 Ethyldihydroxypropyl aminobenzoate?
The CAS number of Ethyldihydroxypropyl aminobenzoate is 79461-57-7.
What is the molecular formula of Ethyldihydroxypropyl aminobenzoate?
The molecular formula of Ethyldihydroxypropyl aminobenzoate is C12H17NO4.
What is the molecular weight of Ethyldihydroxypropyl aminobenzoate?
The molecular weight of Ethyldihydroxypropyl aminobenzoate is 239.12 g/mol.
Where can I buy Ethyldihydroxypropyl aminobenzoate?
You can request a quote for Ethyldihydroxypropyl aminobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyldihydroxypropyl aminobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyldihydroxypropyl aminobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.