Benzoic acid, 2-iodo-5-(octyloxy)-
TL;DR: Benzoic acid, 2-iodo-5-(octyloxy)- (CAS 89031-97-0) is a chemical compound with molecular formula C15H21IO3 and molecular weight 376.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-iodo-5-octoxybenzoic acid
Also Known As: 2-iodo-5-octoxybenzoic acid, Benzoic acid, 2-iodo-5-(octyloxy)-, 5-octyloxy-2-iodobenzoic acid, 2-iodo-5-octoxy-benzoic Acid, 2-IODO-5-(OCTYLOXY)BENZOIC ACID
| Molecular Formula | C15H21IO3 |
|---|---|
| Molecular Weight | 376.05 g/mol |
| LogP | 4.7287 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 376.05353 |
| Heavy Atoms | 19 |
| Complexity | 404.3772 |
Chemical Identifiers
| CAS Number | 89031-97-0 |
|---|---|
| SMILES | CCCCCCCCOC1=CC(=C(C=C1)I)C(=O)O |
Product Overview
Benzoic acid, 2-iodo-5-(octyloxy)- (CAS 89031-97-0), with molecular formula C15H21IO3 and molecular weight 376.05 g/mol. IUPAC: 2-iodo-5-octoxybenzoic acid.
Chemical Property Profile of Benzoic acid, 2-iodo-5-(octyloxy)-
Property Insights of Benzoic acid, 2-iodo-5-(octyloxy)-
The XLogP value of 4.7287 indicates that Benzoic acid, 2-iodo-5-(octyloxy)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, Benzoic acid, 2-iodo-5-(octyloxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-iodo-5-(octyloxy)- has 1 hydrogen bond donor(s) and 2 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 Benzoic acid, 2-iodo-5-(octyloxy)-?
The CAS number of Benzoic acid, 2-iodo-5-(octyloxy)- is 89031-97-0.
What is the molecular formula of Benzoic acid, 2-iodo-5-(octyloxy)-?
The molecular formula of Benzoic acid, 2-iodo-5-(octyloxy)- is C15H21IO3.
What is the molecular weight of Benzoic acid, 2-iodo-5-(octyloxy)-?
The molecular weight of Benzoic acid, 2-iodo-5-(octyloxy)- is 376.05 g/mol.
Where can I buy Benzoic acid, 2-iodo-5-(octyloxy)-?
You can request a quote for Benzoic acid, 2-iodo-5-(octyloxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-iodo-5-(octyloxy)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-iodo-5-(octyloxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.