Diisopropyl 5-aminoisophthalate
TL;DR: Diisopropyl 5-aminoisophthalate (CAS 55496-58-7) is a chemical compound with molecular formula C14H19NO4 and molecular weight 265.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dipropan-2-yl 5-aminobenzene-1,3-dicarboxylate
Also Known As: diisopropyl 5-aminoisophthalate, dipropan-2-yl 5-aminobenzene-1,3-dicarboxylate, diisopropyl5-aminoisophthalate, diisopropyl 5-aminobenzene-1,3-dicarboxylate, 1,3-bis(propan-2-yl) 5-aminobenzene-1,3-dicarboxylate
| Molecular Formula | C14H19NO4 |
|---|---|
| Molecular Weight | 265.13 g/mol |
| LogP | 2.3992 |
| Topological Polar Surface Area | 78.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 265.1314 |
| Heavy Atoms | 19 |
| Complexity | 440.08435 |
Chemical Identifiers
| CAS Number | 55496-58-7 |
|---|---|
| SMILES | CC(C)OC(=O)C1=CC(=CC(=C1)N)C(=O)OC(C)C |
Product Overview
Diisopropyl 5-aminoisophthalate (CAS 55496-58-7), with molecular formula C14H19NO4 and molecular weight 265.13 g/mol. IUPAC: dipropan-2-yl 5-aminobenzene-1,3-dicarboxylate.
Chemical Property Profile of Diisopropyl 5-aminoisophthalate
Property Insights of Diisopropyl 5-aminoisophthalate
The XLogP value of 2.3992 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diisopropyl 5-aminoisophthalate. The TPSA of 78.62 Ų falls within the moderate polarity range, balancing permeability and solubility for Diisopropyl 5-aminoisophthalate. Following Lipinski's Rule of Five, Diisopropyl 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 Diisopropyl 5-aminoisophthalate?
The CAS number of Diisopropyl 5-aminoisophthalate is 55496-58-7.
What is the molecular formula of Diisopropyl 5-aminoisophthalate?
The molecular formula of Diisopropyl 5-aminoisophthalate is C14H19NO4.
What is the molecular weight of Diisopropyl 5-aminoisophthalate?
The molecular weight of Diisopropyl 5-aminoisophthalate is 265.13 g/mol.
Where can I buy Diisopropyl 5-aminoisophthalate?
You can request a quote for Diisopropyl 5-aminoisophthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diisopropyl 5-aminoisophthalate?
Yes, KEHONG BIO provides custom synthesis services for Diisopropyl 5-aminoisophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.