![Methyl 2-[(2-pentyl-2-nonen-1-ylidene)amino]benzoate structure](/static/products/6780/67800-79-7.webp)
Methyl 2-[(2-pentyl-2-nonen-1-ylidene)amino]benzoate
TL;DR: Methyl 2-[(2-pentyl-2-nonen-1-ylidene)amino]benzoate (CAS 67800-79-7) is a chemical compound with molecular formula C22H33NO2 and molecular weight 343.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2-pentylnon-2-enylideneamino)benzoate
Also Known As: methylo-[amino]benzoate, methyl o-[(2-pentyl-2-nonenylidene)amino]benzoate, Methyl o-N-(2-pentyl-2-nonenylidene)aminobenzoate, Benzoic acid, 2-[(2-pentyl-2-nonenylidene)amino]-, methyl ester, Methyl 2-((2-pentyl-2-nonen-1-ylidene)amino)benzoate
| Molecular Formula | C22H33NO2 |
|---|---|
| Molecular Weight | 343.25 g/mol |
| LogP | 7.3 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 13 |
| Exact Mass | 343.25113 |
| Heavy Atoms | 25 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 67800-79-7 |
|---|---|
| SMILES | CCCCCCC=C(CCCCC)C=NC1=CC=CC=C1C(=O)OC |
| InChIKey | IAHAHMKOSPDZNQ-UHFFFAOYSA-N |
Product Overview
Methyl 2-[(2-pentyl-2-nonen-1-ylidene)amino]benzoate (CAS 67800-79-7), with molecular formula C22H33NO2 and molecular weight 343.25 g/mol. IUPAC: methyl 2-(2-pentylnon-2-enylideneamino)benzoate.
Chemical Property Profile of Methyl 2-[(2-pentyl-2-nonen-1-ylidene)amino]benzoate
Property Insights of Methyl 2-[(2-pentyl-2-nonen-1-ylidene)amino]benzoate
The XLogP value of 7.3 indicates that Methyl 2-[(2-pentyl-2-nonen-1-ylidene)amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.7 Ų, Methyl 2-[(2-pentyl-2-nonen-1-ylidene)amino]benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-[(2-pentyl-2-nonen-1-ylidene)amino]benzoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 2-[(2-pentyl-2-nonen-1-ylidene)amino]benzoate?
The CAS number of Methyl 2-[(2-pentyl-2-nonen-1-ylidene)amino]benzoate is 67800-79-7.
What is the molecular formula of Methyl 2-[(2-pentyl-2-nonen-1-ylidene)amino]benzoate?
The molecular formula of Methyl 2-[(2-pentyl-2-nonen-1-ylidene)amino]benzoate is C22H33NO2.
What is the molecular weight of Methyl 2-[(2-pentyl-2-nonen-1-ylidene)amino]benzoate?
The molecular weight of Methyl 2-[(2-pentyl-2-nonen-1-ylidene)amino]benzoate is 343.25 g/mol.
Where can I buy Methyl 2-[(2-pentyl-2-nonen-1-ylidene)amino]benzoate?
You can request a quote for Methyl 2-[(2-pentyl-2-nonen-1-ylidene)amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[(2-pentyl-2-nonen-1-ylidene)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[(2-pentyl-2-nonen-1-ylidene)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.