Salicylic acid, 4-(2-(3,6-dihydroxy-2-benzofuranyl)acetamido)-, 3,6-diacetate
TL;DR: Salicylic acid, 4-(2-(3,6-dihydroxy-2-benzofuranyl)acetamido)-, 3,6-diacetate (CAS 60722-31-8) is a chemical compound with molecular formula C21H17NO9 and molecular weight 427.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-(3,6-diacetyloxy-1-benzofuran-2-yl)acetyl]amino]-2-hydroxybenzoic acid
Also Known As: Salicylic acid, 4-(2-(3,6-dihydroxy-2-benzofuranyl)acetamido)-, 3,6-diacetate, 4-(2-(3,6-Dihydroxy-2-benzofuranyl)acetamido)salicylic acid 3,6-diacetate, 4-[[2-(3,6-diacetyloxy-1-benzofuran-2-yl)acetyl]amino]-2-hydroxybenzoic acid, 4-{2-[3,6-Bis(acetyloxy)-1-benzofuran-2-yl]acetamido}-2-hydroxybenzoic acid, RefChem:379788
| Molecular Formula | C21H17NO9 |
|---|---|
| Molecular Weight | 427.09 g/mol |
| LogP | 2.8684 |
| Topological Polar Surface Area | 152.37 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 427.09033 |
| Heavy Atoms | 31 |
| Complexity | 1209.026 |
Chemical Identifiers
| CAS Number | 60722-31-8 |
|---|---|
| SMILES | CC(=O)OC1=CC2=C(C=C1)C(=C(O2)CC(=O)NC3=CC(=C(C=C3)C(=O)O)O)OC(=O)C |
Product Overview
Salicylic acid, 4-(2-(3,6-dihydroxy-2-benzofuranyl)acetamido)-, 3,6-diacetate (CAS 60722-31-8), with molecular formula C21H17NO9 and molecular weight 427.09 g/mol. IUPAC: 4-[[2-(3,6-diacetyloxy-1-benzofuran-2-yl)acetyl]amino]-2-hydroxybenzoic acid.
Chemical Property Profile of Salicylic acid, 4-(2-(3,6-dihydroxy-2-benzofuranyl)acetamido)-, 3,6-diacetate
Property Insights of Salicylic acid, 4-(2-(3,6-dihydroxy-2-benzofuranyl)acetamido)-, 3,6-diacetate
The XLogP value of 2.8684 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Salicylic acid, 4-(2-(3,6-dihydroxy-2-benzofuranyl)acetamido)-, 3,6-diacetate. The TPSA of 152.37 Ų indicates high polarity, suggesting Salicylic acid, 4-(2-(3,6-dihydroxy-2-benzofuranyl)acetamido)-, 3,6-diacetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Salicylic acid, 4-(2-(3,6-dihydroxy-2-benzofuranyl)acetamido)-, 3,6-diacetate has 3 hydrogen bond donor(s) and 8 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 Salicylic acid, 4-(2-(3,6-dihydroxy-2-benzofuranyl)acetamido)-, 3,6-diacetate?
The CAS number of Salicylic acid, 4-(2-(3,6-dihydroxy-2-benzofuranyl)acetamido)-, 3,6-diacetate is 60722-31-8.
What is the molecular formula of Salicylic acid, 4-(2-(3,6-dihydroxy-2-benzofuranyl)acetamido)-, 3,6-diacetate?
The molecular formula of Salicylic acid, 4-(2-(3,6-dihydroxy-2-benzofuranyl)acetamido)-, 3,6-diacetate is C21H17NO9.
What is the molecular weight of Salicylic acid, 4-(2-(3,6-dihydroxy-2-benzofuranyl)acetamido)-, 3,6-diacetate?
The molecular weight of Salicylic acid, 4-(2-(3,6-dihydroxy-2-benzofuranyl)acetamido)-, 3,6-diacetate is 427.09 g/mol.
Where can I buy Salicylic acid, 4-(2-(3,6-dihydroxy-2-benzofuranyl)acetamido)-, 3,6-diacetate?
You can request a quote for Salicylic acid, 4-(2-(3,6-dihydroxy-2-benzofuranyl)acetamido)-, 3,6-diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Salicylic acid, 4-(2-(3,6-dihydroxy-2-benzofuranyl)acetamido)-, 3,6-diacetate?
Yes, KEHONG BIO provides custom synthesis services for Salicylic acid, 4-(2-(3,6-dihydroxy-2-benzofuranyl)acetamido)-, 3,6-diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.