Benzoic acid, 3,5-diiodo-4-propoxy-, 2-isopropylidenehydrazide
TL;DR: Benzoic acid, 3,5-diiodo-4-propoxy-, 2-isopropylidenehydrazide (CAS 27586-72-7) is a chemical compound with molecular formula C13H16I2N2O2 and molecular weight 485.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-diiodo-N-(propan-2-ylideneamino)-4-propoxybenzamide
Also Known As: 3,5-Diiodo-4-propoxybenzoic acid 2-isopropylidenehydrazide, Benzoic acid, 3,5-diiodo-4-propoxy-, 2-isopropylidenehydrazide, 3,5-diiodo-n'-(propan-2-ylidene)-4-propoxybenzohydrazide, 3,5-diiodo-N-(propan-2-ylideneamino)-4-propoxybenzamide, 3,5-Diiodo-N-(propan-2-ylidene)-4-propoxybenzene-1-carbohydrazonic acid
| Molecular Formula | C13H16I2N2O2 |
|---|---|
| Molecular Weight | 485.93 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 50.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 485.9301 |
| Heavy Atoms | 19 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 27586-72-7 |
|---|---|
| SMILES | CCCOC1=C(C=C(C=C1I)C(=O)NN=C(C)C)I |
| InChIKey | OYOAZNPYJZAPML-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 3,5-diiodo-4-propoxy-, 2-isopropylidenehydrazide (CAS 27586-72-7), with molecular formula C13H16I2N2O2 and molecular weight 485.93 g/mol. IUPAC: 3,5-diiodo-N-(propan-2-ylideneamino)-4-propoxybenzamide.
Chemical Property Profile of Benzoic acid, 3,5-diiodo-4-propoxy-, 2-isopropylidenehydrazide
Property Insights of Benzoic acid, 3,5-diiodo-4-propoxy-, 2-isopropylidenehydrazide
The XLogP value of 3.6 indicates that Benzoic acid, 3,5-diiodo-4-propoxy-, 2-isopropylidenehydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.7 Ų, Benzoic acid, 3,5-diiodo-4-propoxy-, 2-isopropylidenehydrazide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 3,5-diiodo-4-propoxy-, 2-isopropylidenehydrazide 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 Benzoic acid, 3,5-diiodo-4-propoxy-, 2-isopropylidenehydrazide?
The CAS number of Benzoic acid, 3,5-diiodo-4-propoxy-, 2-isopropylidenehydrazide is 27586-72-7.
What is the molecular formula of Benzoic acid, 3,5-diiodo-4-propoxy-, 2-isopropylidenehydrazide?
The molecular formula of Benzoic acid, 3,5-diiodo-4-propoxy-, 2-isopropylidenehydrazide is C13H16I2N2O2.
What is the molecular weight of Benzoic acid, 3,5-diiodo-4-propoxy-, 2-isopropylidenehydrazide?
The molecular weight of Benzoic acid, 3,5-diiodo-4-propoxy-, 2-isopropylidenehydrazide is 485.93 g/mol.
Where can I buy Benzoic acid, 3,5-diiodo-4-propoxy-, 2-isopropylidenehydrazide?
You can request a quote for Benzoic acid, 3,5-diiodo-4-propoxy-, 2-isopropylidenehydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 3,5-diiodo-4-propoxy-, 2-isopropylidenehydrazide?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3,5-diiodo-4-propoxy-, 2-isopropylidenehydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.