Ethyl 3,5-diaminobenzoate
TL;DR: Ethyl 3,5-diaminobenzoate (CAS 1949-51-5) is a chemical compound with molecular formula C9H12N2O2 and molecular weight 180.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,5-diaminobenzoate
Also Known As: Ethyl 3,5-diaminobenzoate, Naretin, 1,3-Diethynylbenzene, Ethyl3,5-diaminobenzoate, 3,5-diaminobenzoic acid ethyl ester
| Molecular Formula | C9H12N2O2 |
|---|---|
| Molecular Weight | 180.09 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 78.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.08987 |
| Heavy Atoms | 13 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 1949-51-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=CC(=C1)N)N |
| InChIKey | IDLVQOMJOKNXSL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3,5-diaminobenzoate (CAS 1949-51-5), with molecular formula C9H12N2O2 and molecular weight 180.09 g/mol. IUPAC: ethyl 3,5-diaminobenzoate.
Chemical Property Profile of Ethyl 3,5-diaminobenzoate
Property Insights of Ethyl 3,5-diaminobenzoate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3,5-diaminobenzoate. The TPSA of 78.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3,5-diaminobenzoate. Following Lipinski's Rule of Five, Ethyl 3,5-diaminobenzoate has 2 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 Ethyl 3,5-diaminobenzoate?
The CAS number of Ethyl 3,5-diaminobenzoate is 1949-51-5.
What is the molecular formula of Ethyl 3,5-diaminobenzoate?
The molecular formula of Ethyl 3,5-diaminobenzoate is C9H12N2O2.
What is the molecular weight of Ethyl 3,5-diaminobenzoate?
The molecular weight of Ethyl 3,5-diaminobenzoate is 180.09 g/mol.
Where can I buy Ethyl 3,5-diaminobenzoate?
You can request a quote for Ethyl 3,5-diaminobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3,5-diaminobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3,5-diaminobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.