Dimethyl 5-aminoisophthalate
TL;DR: Dimethyl 5-aminoisophthalate (CAS 99-27-4) is a chemical compound with molecular formula C10H11NO4 and molecular weight 209.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-aminobenzene-1,3-dicarboxylate
Also Known As: Dimethyl 5-aminoisophthalate, 3,5-Dicarbomethoxyaniline, Dimethyl 5-aminobenzene-1,3-dicarboxylate, Dimethyl5-aminoisophthalate, 5-Aminoisophthalic acid dimethyl ester
| Molecular Formula | C10H11NO4 |
|---|---|
| Molecular Weight | 209.07 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 78.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 209.0688 |
| Heavy Atoms | 15 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 99-27-4 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)N)C(=O)OC |
| InChIKey | DEKPYXUDJRABNK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl 5-aminoisophthalate (CAS 99-27-4), with molecular formula C10H11NO4 and molecular weight 209.07 g/mol. IUPAC: dimethyl 5-aminobenzene-1,3-dicarboxylate.
Chemical Property Profile of Dimethyl 5-aminoisophthalate
Property Insights of Dimethyl 5-aminoisophthalate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 5-aminoisophthalate. The TPSA of 78.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 5-aminoisophthalate. Following Lipinski's Rule of Five, Dimethyl 5-aminoisophthalate 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 Dimethyl 5-aminoisophthalate?
The CAS number of Dimethyl 5-aminoisophthalate is 99-27-4.
What is the molecular formula of Dimethyl 5-aminoisophthalate?
The molecular formula of Dimethyl 5-aminoisophthalate is C10H11NO4.
What is the molecular weight of Dimethyl 5-aminoisophthalate?
The molecular weight of Dimethyl 5-aminoisophthalate is 209.07 g/mol.
Where can I buy Dimethyl 5-aminoisophthalate?
You can request a quote for Dimethyl 5-aminoisophthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 5-aminoisophthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 5-aminoisophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.