methyl 5-iodo-2,3-dimethylbenzoate
TL;DR: methyl 5-iodo-2,3-dimethylbenzoate (CAS 5613-34-3) is a chemical compound with molecular formula C18H15ClN6O4 and molecular weight 414.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[(E)-[[2-[5-(2-chlorophenyl)tetrazol-2-yl]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
Also Known As: methyl 5-iodo-2,3-dimethylbenzoate, 2-[3-[(E)-[[2-[5-(2-chlorophenyl)tetrazol-2-yl]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid, {3-[(E)-(2-{[5-(2-chlorophenyl)-2H-tetrazol-2-yl]acetyl}hydrazinylidene)methyl]phenoxy}acetic acid, 2-[3-[[[2-[5-(2-chlorophenyl)tetrazol-2-yl]acetyl]hydrazinylidene]methyl]phenoxy]acetic Acid
| Molecular Formula | C18H15ClN6O4 |
|---|---|
| Molecular Weight | 414.08 g/mol |
| LogP | 1.6072 |
| Topological Polar Surface Area | 131.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 414.08432 |
| Heavy Atoms | 29 |
| Complexity | 1052.0905 |
Chemical Identifiers
| CAS Number | 5613-34-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=NN(N=N2)CC(=O)N/N=C/C3=CC(=CC=C3)OCC(=O)O)Cl |
Product Overview
methyl 5-iodo-2,3-dimethylbenzoate (CAS 5613-34-3), with molecular formula C18H15ClN6O4 and molecular weight 414.08 g/mol. IUPAC: 2-[3-[(E)-[[2-[5-(2-chlorophenyl)tetrazol-2-yl]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid.
Chemical Property Profile of methyl 5-iodo-2,3-dimethylbenzoate
Property Insights of methyl 5-iodo-2,3-dimethylbenzoate
The XLogP value of 1.6072 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 5-iodo-2,3-dimethylbenzoate. The TPSA of 131.59 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5-iodo-2,3-dimethylbenzoate. Following Lipinski's Rule of Five, methyl 5-iodo-2,3-dimethylbenzoate has 2 hydrogen bond donor(s) and 7 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 5-iodo-2,3-dimethylbenzoate?
The CAS number of methyl 5-iodo-2,3-dimethylbenzoate is 5613-34-3.
What is the molecular formula of methyl 5-iodo-2,3-dimethylbenzoate?
The molecular formula of methyl 5-iodo-2,3-dimethylbenzoate is C18H15ClN6O4.
What is the molecular weight of methyl 5-iodo-2,3-dimethylbenzoate?
The molecular weight of methyl 5-iodo-2,3-dimethylbenzoate is 414.08 g/mol.
Where can I buy methyl 5-iodo-2,3-dimethylbenzoate?
You can request a quote for methyl 5-iodo-2,3-dimethylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 5-iodo-2,3-dimethylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-iodo-2,3-dimethylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.