2-Iodo-3-pyridinyl 4-methylbenzenecarboxylate
TL;DR: 2-Iodo-3-pyridinyl 4-methylbenzenecarboxylate (CAS 339009-23-3) is a chemical compound with molecular formula C13H10INO2 and molecular weight 338.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-iodo-3-pyridinyl) 4-methylbenzoate
Also Known As: Bionet2_000186, 2-iodo-3-pyridinyl 4-methylbenzenecarboxylate, 2-iodopyridin-3-yl 4-methylbenzoate, (2-iodopyridin-3-yl) 4-methylbenzoate, 2-iodopyridin-3-yl4-methylbenzoate
| Molecular Formula | C13H10INO2 |
|---|---|
| Molecular Weight | 338.98 g/mol |
| LogP | 3.21382 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 338.97562 |
| Heavy Atoms | 17 |
| Complexity | 537.37067 |
Chemical Identifiers
| CAS Number | 339009-23-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)OC2=C(N=CC=C2)I |
Product Overview
2-Iodo-3-pyridinyl 4-methylbenzenecarboxylate (CAS 339009-23-3), with molecular formula C13H10INO2 and molecular weight 338.98 g/mol. IUPAC: (2-iodo-3-pyridinyl) 4-methylbenzoate.
Chemical Property Profile of 2-Iodo-3-pyridinyl 4-methylbenzenecarboxylate
Property Insights of 2-Iodo-3-pyridinyl 4-methylbenzenecarboxylate
The XLogP value of 3.21382 indicates that 2-Iodo-3-pyridinyl 4-methylbenzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.19 Ų, 2-Iodo-3-pyridinyl 4-methylbenzenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Iodo-3-pyridinyl 4-methylbenzenecarboxylate has 0 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 2-Iodo-3-pyridinyl 4-methylbenzenecarboxylate?
The CAS number of 2-Iodo-3-pyridinyl 4-methylbenzenecarboxylate is 339009-23-3.
What is the molecular formula of 2-Iodo-3-pyridinyl 4-methylbenzenecarboxylate?
The molecular formula of 2-Iodo-3-pyridinyl 4-methylbenzenecarboxylate is C13H10INO2.
What is the molecular weight of 2-Iodo-3-pyridinyl 4-methylbenzenecarboxylate?
The molecular weight of 2-Iodo-3-pyridinyl 4-methylbenzenecarboxylate is 338.98 g/mol.
Where can I buy 2-Iodo-3-pyridinyl 4-methylbenzenecarboxylate?
You can request a quote for 2-Iodo-3-pyridinyl 4-methylbenzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Iodo-3-pyridinyl 4-methylbenzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-Iodo-3-pyridinyl 4-methylbenzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.