Dimethyl 4-((3-aminophenyl)hydroxymethyl)phthalate
TL;DR: Dimethyl 4-((3-aminophenyl)hydroxymethyl)phthalate (CAS 52656-24-3) is a chemical compound with molecular formula C17H17NO5 and molecular weight 315.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 4-[(3-aminophenyl)-hydroxymethyl]benzene-1,2-dicarboxylate
Also Known As: dimethyl4-[hydroxymethyl]phthalate, Dimethyl 4-((3-aminophenyl)hydroxymethyl)phthalate, dimethyl4-[ hydroxymethyl]phthalate, Dimethyl 4-[(3-aminophenyl)hydroxymethyl ]phthalate, DIMETHYL 4-[(3-AMINOPHENYL)HYDROXYMETHYL]PHTHALATE
| Molecular Formula | C17H17NO5 |
|---|---|
| Molecular Weight | 315.11 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 98.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 315.1107 |
| Heavy Atoms | 23 |
| Complexity | 427.0 |
Chemical Identifiers
| CAS Number | 52656-24-3 |
|---|---|
| SMILES | COC(=O)C1=C(C=C(C=C1)C(C2=CC(=CC=C2)N)O)C(=O)OC |
| InChIKey | UBZGJSFNOQCQJF-UHFFFAOYSA-N |
Product Overview
Dimethyl 4-((3-aminophenyl)hydroxymethyl)phthalate (CAS 52656-24-3), with molecular formula C17H17NO5 and molecular weight 315.11 g/mol. IUPAC: dimethyl 4-[(3-aminophenyl)-hydroxymethyl]benzene-1,2-dicarboxylate.
Chemical Property Profile of Dimethyl 4-((3-aminophenyl)hydroxymethyl)phthalate
Property Insights of Dimethyl 4-((3-aminophenyl)hydroxymethyl)phthalate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 4-((3-aminophenyl)hydroxymethyl)phthalate. The TPSA of 98.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 4-((3-aminophenyl)hydroxymethyl)phthalate. Following Lipinski's Rule of Five, Dimethyl 4-((3-aminophenyl)hydroxymethyl)phthalate has 2 hydrogen bond donor(s) and 6 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 4-((3-aminophenyl)hydroxymethyl)phthalate?
The CAS number of Dimethyl 4-((3-aminophenyl)hydroxymethyl)phthalate is 52656-24-3.
What is the molecular formula of Dimethyl 4-((3-aminophenyl)hydroxymethyl)phthalate?
The molecular formula of Dimethyl 4-((3-aminophenyl)hydroxymethyl)phthalate is C17H17NO5.
What is the molecular weight of Dimethyl 4-((3-aminophenyl)hydroxymethyl)phthalate?
The molecular weight of Dimethyl 4-((3-aminophenyl)hydroxymethyl)phthalate is 315.11 g/mol.
Where can I buy Dimethyl 4-((3-aminophenyl)hydroxymethyl)phthalate?
You can request a quote for Dimethyl 4-((3-aminophenyl)hydroxymethyl)phthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 4-((3-aminophenyl)hydroxymethyl)phthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 4-((3-aminophenyl)hydroxymethyl)phthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.