Methyl 4-benzyloxy-2-hydroxy-3-iodo-6-methylbenzoate
TL;DR: Methyl 4-benzyloxy-2-hydroxy-3-iodo-6-methylbenzoate (CAS 127725-14-8) is a chemical compound with molecular formula C16H15IO4 and molecular weight 398.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-hydroxy-3-iodo-6-methyl-4-phenylmethoxybenzoate
Also Known As: BHIM, Methyl 4-benzyloxy-2-hydroxy-3-iodo-6-methylbenzoate, methyl 2-hydroxy-3-iodo-6-methyl-4-phenylmethoxybenzoate, Methyl 2-hydroxy-3-iodo-6-methyl-4-(phenylmethoxy)benzoate, METHYL 4-(BENZYLOXY)-2-HYDROXY-3-IODO-6-METHYLBENZOATE
| Molecular Formula | C16H15IO4 |
|---|---|
| Molecular Weight | 398.00 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.0015 |
| Heavy Atoms | 21 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 127725-14-8 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1C(=O)OC)O)I)OCC2=CC=CC=C2 |
| InChIKey | IZKPTCANVFJZQF-UHFFFAOYSA-N |
Product Overview
Methyl 4-benzyloxy-2-hydroxy-3-iodo-6-methylbenzoate (CAS 127725-14-8), with molecular formula C16H15IO4 and molecular weight 398.00 g/mol. IUPAC: methyl 2-hydroxy-3-iodo-6-methyl-4-phenylmethoxybenzoate.
Chemical Property Profile of Methyl 4-benzyloxy-2-hydroxy-3-iodo-6-methylbenzoate
Property Insights of Methyl 4-benzyloxy-2-hydroxy-3-iodo-6-methylbenzoate
The XLogP value of 4.5 indicates that Methyl 4-benzyloxy-2-hydroxy-3-iodo-6-methylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, Methyl 4-benzyloxy-2-hydroxy-3-iodo-6-methylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-benzyloxy-2-hydroxy-3-iodo-6-methylbenzoate has 1 hydrogen bond donor(s) and 4 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 Methyl 4-benzyloxy-2-hydroxy-3-iodo-6-methylbenzoate?
The CAS number of Methyl 4-benzyloxy-2-hydroxy-3-iodo-6-methylbenzoate is 127725-14-8.
What is the molecular formula of Methyl 4-benzyloxy-2-hydroxy-3-iodo-6-methylbenzoate?
The molecular formula of Methyl 4-benzyloxy-2-hydroxy-3-iodo-6-methylbenzoate is C16H15IO4.
What is the molecular weight of Methyl 4-benzyloxy-2-hydroxy-3-iodo-6-methylbenzoate?
The molecular weight of Methyl 4-benzyloxy-2-hydroxy-3-iodo-6-methylbenzoate is 398.00 g/mol.
Where can I buy Methyl 4-benzyloxy-2-hydroxy-3-iodo-6-methylbenzoate?
You can request a quote for Methyl 4-benzyloxy-2-hydroxy-3-iodo-6-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-benzyloxy-2-hydroxy-3-iodo-6-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-benzyloxy-2-hydroxy-3-iodo-6-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.