2-(辛亚基氨基)苯甲酸甲酯
TL;DR: 2-(辛亚基氨基)苯甲酸甲酯 (CAS 67801-44-9) is a chemical compound with molecular formula C16H23NO2 and molecular weight 261.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(辛亚基氨基)苯甲酸甲酯
methyl 2-(octylideneamino)benzoate
Also Known As: Methyl 2-(octylideneamino)benzoate, OCMEA, Benzoic acid, 2-(octylideneamino)-, methyl ester, methyl 2 - (octylideneamino)benzoate, methyl (E)-2-(octylideneamino)benzoate
| Molecular Formula | C16H23NO2 |
|---|---|
| Molecular Weight | 261.17 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 261.17288 |
| Heavy Atoms | 19 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 67801-44-9 |
|---|---|
| SMILES | CCCCCCCC=NC1=CC=CC=C1C(=O)OC |
| InChIKey | YHXKDPQWWGRLRC-UHFFFAOYSA-N |
Product Overview
2-(辛亚基氨基)苯甲酸甲酯 (CAS 67801-44-9), with molecular formula C16H23NO2 and molecular weight 261.17 g/mol. IUPAC: methyl 2-(octylideneamino)benzoate.
Chemical Property Profile of 2-(辛亚基氨基)苯甲酸甲酯
Property Insights of 2-(辛亚基氨基)苯甲酸甲酯
The XLogP value of 4.4 indicates that 2-(辛亚基氨基)苯甲酸甲酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.7 Ų, 2-(辛亚基氨基)苯甲酸甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(辛亚基氨基)苯甲酸甲酯 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-(辛亚基氨基)苯甲酸甲酯?
The CAS number of 2-(辛亚基氨基)苯甲酸甲酯 is 67801-44-9.
What is the molecular formula of 2-(辛亚基氨基)苯甲酸甲酯?
The molecular formula of 2-(辛亚基氨基)苯甲酸甲酯 is C16H23NO2.
What is the molecular weight of 2-(辛亚基氨基)苯甲酸甲酯?
The molecular weight of 2-(辛亚基氨基)苯甲酸甲酯 is 261.17 g/mol.
Where can I buy 2-(辛亚基氨基)苯甲酸甲酯?
You can request a quote for 2-(辛亚基氨基)苯甲酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(辛亚基氨基)苯甲酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 2-(辛亚基氨基)苯甲酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.