3-Iodo-5-methoxy-4-propoxybenzoic acid
TL;DR: 3-Iodo-5-methoxy-4-propoxybenzoic acid (CAS 145399-74-2) is a chemical compound with molecular formula C11H13IO4 and molecular weight 335.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-iodo-5-methoxy-4-propoxybenzoic acid
Also Known As: 3-iodo-5-methoxy-4-propoxybenzoic acid, 3-methoxy-4-propoxy-5-iodobenzoic acid, 3-iodo-5-methoxy-4-propoxy-benzoic acid, AH-487/42820076
| Molecular Formula | C11H13IO4 |
|---|---|
| Molecular Weight | 335.99 g/mol |
| LogP | 2.7868 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.98587 |
| Heavy Atoms | 16 |
| Complexity | 389.8161 |
Chemical Identifiers
| CAS Number | 145399-74-2 |
|---|---|
| SMILES | CCCOC1=C(C=C(C=C1I)C(=O)O)OC |
Product Overview
3-Iodo-5-methoxy-4-propoxybenzoic acid (CAS 145399-74-2), with molecular formula C11H13IO4 and molecular weight 335.99 g/mol. IUPAC: 3-iodo-5-methoxy-4-propoxybenzoic acid.
Chemical Property Profile of 3-Iodo-5-methoxy-4-propoxybenzoic acid
Property Insights of 3-Iodo-5-methoxy-4-propoxybenzoic acid
The XLogP value of 2.7868 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Iodo-5-methoxy-4-propoxybenzoic acid. With a topological polar surface area (TPSA) of 55.76 Ų, 3-Iodo-5-methoxy-4-propoxybenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Iodo-5-methoxy-4-propoxybenzoic acid has 1 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 3-Iodo-5-methoxy-4-propoxybenzoic acid?
The CAS number of 3-Iodo-5-methoxy-4-propoxybenzoic acid is 145399-74-2.
What is the molecular formula of 3-Iodo-5-methoxy-4-propoxybenzoic acid?
The molecular formula of 3-Iodo-5-methoxy-4-propoxybenzoic acid is C11H13IO4.
What is the molecular weight of 3-Iodo-5-methoxy-4-propoxybenzoic acid?
The molecular weight of 3-Iodo-5-methoxy-4-propoxybenzoic acid is 335.99 g/mol.
Where can I buy 3-Iodo-5-methoxy-4-propoxybenzoic acid?
You can request a quote for 3-Iodo-5-methoxy-4-propoxybenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Iodo-5-methoxy-4-propoxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Iodo-5-methoxy-4-propoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.