1,2,3-Propanetriol, mono(4-aminobenzoate)
TL;DR: 1,2,3-Propanetriol, mono(4-aminobenzoate) (CAS 29593-08-6) is a chemical compound with molecular formula C10H13NO4 and molecular weight 211.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dihydroxypropan-2-yl 4-aminobenzoate
Also Known As: Glycerol 4-aminobenzoate, Caswell No. 581, Monoglyceryl p-aminobenzoate, 1,3-dihydroxypropan-2-yl 4-aminobenzoate, Glycerol mono-p-aminobenzoate
| Molecular Formula | C10H13NO4 |
|---|---|
| Molecular Weight | 211.08 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 92.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 211.08446 |
| Heavy Atoms | 15 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 29593-08-6 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)OC(CO)CO)N |
| InChIKey | DNWWTEIXNIQRQP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,3-Propanetriol, mono(4-aminobenzoate) (CAS 29593-08-6), with molecular formula C10H13NO4 and molecular weight 211.08 g/mol. IUPAC: 1,3-dihydroxypropan-2-yl 4-aminobenzoate.
Chemical Property Profile of 1,2,3-Propanetriol, mono(4-aminobenzoate)
Property Insights of 1,2,3-Propanetriol, mono(4-aminobenzoate)
The XLogP value of -0.2 indicates that 1,2,3-Propanetriol, mono(4-aminobenzoate) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 92.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,3-Propanetriol, mono(4-aminobenzoate). Following Lipinski's Rule of Five, 1,2,3-Propanetriol, mono(4-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 1,2,3-Propanetriol, mono(4-aminobenzoate)?
The CAS number of 1,2,3-Propanetriol, mono(4-aminobenzoate) is 29593-08-6.
What is the molecular formula of 1,2,3-Propanetriol, mono(4-aminobenzoate)?
The molecular formula of 1,2,3-Propanetriol, mono(4-aminobenzoate) is C10H13NO4.
What is the molecular weight of 1,2,3-Propanetriol, mono(4-aminobenzoate)?
The molecular weight of 1,2,3-Propanetriol, mono(4-aminobenzoate) is 211.08 g/mol.
Where can I buy 1,2,3-Propanetriol, mono(4-aminobenzoate)?
You can request a quote for 1,2,3-Propanetriol, mono(4-aminobenzoate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3-Propanetriol, mono(4-aminobenzoate)?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3-Propanetriol, mono(4-aminobenzoate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.