5-碘香草酸
TL;DR: 5-碘香草酸 (CAS 98554-57-5) is a chemical compound with molecular formula C8H7IO4 and molecular weight 293.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-碘香草酸
4-hydroxy-3-iodo-5-methoxybenzoic acid
Also Known As: 5-IODOVANILLIC ACID, starbld0001305, 4-HYDROXY-3-IODO-5-METHOXYBENZOIC ACID, 4-hydroxy-3-iodo-5-methoxy-benzoic Acid
| Molecular Formula | C8H7IO4 |
|---|---|
| Molecular Weight | 293.94 g/mol |
| LogP | 1.7036 |
| Topological Polar Surface Area | 66.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 293.9389 |
| Heavy Atoms | 13 |
| Complexity | 348.24243 |
Chemical Identifiers
| CAS Number | 98554-57-5 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)C(=O)O)I)O |
Product Overview
5-碘香草酸 (CAS 98554-57-5), with molecular formula C8H7IO4 and molecular weight 293.94 g/mol. IUPAC: 4-hydroxy-3-iodo-5-methoxybenzoic acid.
Chemical Property Profile of 5-碘香草酸
Property Insights of 5-碘香草酸
The XLogP value of 1.7036 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-碘香草酸. The TPSA of 66.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-碘香草酸. Following Lipinski's Rule of Five, 5-碘香草酸 has 2 hydrogen bond donor(s) and 3 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 5-碘香草酸?
The CAS number of 5-碘香草酸 is 98554-57-5.
What is the molecular formula of 5-碘香草酸?
The molecular formula of 5-碘香草酸 is C8H7IO4.
What is the molecular weight of 5-碘香草酸?
The molecular weight of 5-碘香草酸 is 293.94 g/mol.
Where can I buy 5-碘香草酸?
You can request a quote for 5-碘香草酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-碘香草酸?
Yes, KEHONG BIO provides custom synthesis services for 5-碘香草酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.