![methyl 2-[(5,5-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl)methylideneamino]benzoate structure](/static/products/940/94021-67-7.png)
methyl 2-[(5,5-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl)methylideneamino]benzoate
TL;DR: methyl 2-[(5,5-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl)methylideneamino]benzoate (CAS 94021-67-7) is a chemical compound with molecular formula C21H27NO2 and molecular weight 325.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(5,5-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl)methylideneamino]benzoate
Also Known As: methyl 2-[(5,5-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl)methylideneamino]benzoate, Methyl 2-(((octahydro-5,5-dimethyl-1-naphthyl)methylene)amino)benzoate
| Molecular Formula | C21H27NO2 |
|---|---|
| Molecular Weight | 325.20 g/mol |
| LogP | 5.4823 |
| Topological Polar Surface Area | 38.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.2042 |
| Heavy Atoms | 24 |
| Complexity | 684.8341 |
Chemical Identifiers
| CAS Number | 94021-67-7 |
|---|---|
| SMILES | CC1(CCCC2=C1CCCC2C=NC3=CC=CC=C3C(=O)OC)C |
Product Overview
methyl 2-[(5,5-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl)methylideneamino]benzoate (CAS 94021-67-7), with molecular formula C21H27NO2 and molecular weight 325.20 g/mol. IUPAC: methyl 2-[(5,5-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl)methylideneamino]benzoate.
Chemical Property Profile of methyl 2-[(5,5-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl)methylideneamino]benzoate
Property Insights of methyl 2-[(5,5-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl)methylideneamino]benzoate
The XLogP value of 5.4823 indicates that methyl 2-[(5,5-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl)methylideneamino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.66 Ų, methyl 2-[(5,5-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl)methylideneamino]benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 2-[(5,5-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl)methylideneamino]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-[(5,5-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl)methylideneamino]benzoate?
The CAS number of methyl 2-[(5,5-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl)methylideneamino]benzoate is 94021-67-7.
What is the molecular formula of methyl 2-[(5,5-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl)methylideneamino]benzoate?
The molecular formula of methyl 2-[(5,5-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl)methylideneamino]benzoate is C21H27NO2.
What is the molecular weight of methyl 2-[(5,5-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl)methylideneamino]benzoate?
The molecular weight of methyl 2-[(5,5-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl)methylideneamino]benzoate is 325.20 g/mol.
Where can I buy methyl 2-[(5,5-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl)methylideneamino]benzoate?
You can request a quote for methyl 2-[(5,5-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl)methylideneamino]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-[(5,5-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl)methylideneamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[(5,5-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl)methylideneamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.