Benzoic acid, 2-iodo-, 2,3-dihydroxypropyl ester
TL;DR: Benzoic acid, 2-iodo-, 2,3-dihydroxypropyl ester (CAS 51928-81-5) is a chemical compound with molecular formula C10H11IO4 and molecular weight 321.9702 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3-dihydroxypropyl 2-iodobenzoate
Also Known As: 2,3-dihydroxypropyl 2-iodobenzoate, 2-Iodobenzoic acid 2,3-dihydroxypropyl ester, 2-(beta,gamma-Dihydroxypropoxycarbonyl)iodobenzene, BENZOIC ACID, 2-IODO-, 2,3-DIHYDROXYPROPYL ESTER, BRN 2115798
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H11IO4 |
| Molecular Weight | 321.9702 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 321.9702 Da |
| Heavy Atoms | 15 |
| Complexity | 210.0 |
| SMILES | C1=CC=C(C(=C1)C(=O)OCC(CO)O)I |
| InChIKey | WLDHWPBTQPAKMA-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 2-iodo-, 2,3-dihydroxypropyl ester
Property Insights of Benzoic acid, 2-iodo-, 2,3-dihydroxypropyl ester
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 2-iodo-, 2,3-dihydroxypropyl ester. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2-iodo-, 2,3-dihydroxypropyl ester. Following Lipinski's Rule of Five, Benzoic acid, 2-iodo-, 2,3-dihydroxypropyl ester 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
What is the CAS number of Benzoic acid, 2-iodo-, 2,3-dihydroxypropyl ester?
The CAS number of Benzoic acid, 2-iodo-, 2,3-dihydroxypropyl ester is 51928-81-5.
What is the molecular formula of Benzoic acid, 2-iodo-, 2,3-dihydroxypropyl ester?
The molecular formula of Benzoic acid, 2-iodo-, 2,3-dihydroxypropyl ester is C10H11IO4.
What is the molecular weight of Benzoic acid, 2-iodo-, 2,3-dihydroxypropyl ester?
The molecular weight of Benzoic acid, 2-iodo-, 2,3-dihydroxypropyl ester is 321.9702 g/mol.
Where can I buy Benzoic acid, 2-iodo-, 2,3-dihydroxypropyl ester?
You can request a quote for Benzoic acid, 2-iodo-, 2,3-dihydroxypropyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 2-iodo-, 2,3-dihydroxypropyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 2-iodo-, 2,3-dihydroxypropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.