Methyl 2-((7-hydroxy-3,7-dimethyloctyl)amino)benzoate
TL;DR: Methyl 2-((7-hydroxy-3,7-dimethyloctyl)amino)benzoate (CAS 94201-74-8) is a chemical compound with molecular formula C18H29NO3 and molecular weight 307.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(7-hydroxy-3,7-dimethyloctyl)amino]benzoate
Also Known As: EINECS 303-663-7, methyl 2-[(7-hydroxy-3,7-dimethyloctyl)amino]benzoate, Methyl 2-((7-hydroxy-3,7-dimethyloctyl)amino)benzoate, 2-[(7-Hydroxy-3,7-dimethyloctyl)amino]benzoic acid methyl ester, 303-663-7
| Molecular Formula | C18H29NO3 |
|---|---|
| Molecular Weight | 307.21 g/mol |
| LogP | 3.8525 |
| Topological Polar Surface Area | 58.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 307.21475 |
| Heavy Atoms | 22 |
| Complexity | 465.64523 |
Chemical Identifiers
| CAS Number | 94201-74-8 |
|---|---|
| SMILES | CC(CCCC(C)(C)O)CCNC1=CC=CC=C1C(=O)OC |
Product Overview
Methyl 2-((7-hydroxy-3,7-dimethyloctyl)amino)benzoate (CAS 94201-74-8), with molecular formula C18H29NO3 and molecular weight 307.21 g/mol. IUPAC: methyl 2-[(7-hydroxy-3,7-dimethyloctyl)amino]benzoate.
Chemical Property Profile of Methyl 2-((7-hydroxy-3,7-dimethyloctyl)amino)benzoate
Property Insights of Methyl 2-((7-hydroxy-3,7-dimethyloctyl)amino)benzoate
The XLogP value of 3.8525 indicates that Methyl 2-((7-hydroxy-3,7-dimethyloctyl)amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.56 Ų, Methyl 2-((7-hydroxy-3,7-dimethyloctyl)amino)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-((7-hydroxy-3,7-dimethyloctyl)amino)benzoate has 2 hydrogen bond donor(s) and 4 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 Methyl 2-((7-hydroxy-3,7-dimethyloctyl)amino)benzoate?
The CAS number of Methyl 2-((7-hydroxy-3,7-dimethyloctyl)amino)benzoate is 94201-74-8.
What is the molecular formula of Methyl 2-((7-hydroxy-3,7-dimethyloctyl)amino)benzoate?
The molecular formula of Methyl 2-((7-hydroxy-3,7-dimethyloctyl)amino)benzoate is C18H29NO3.
What is the molecular weight of Methyl 2-((7-hydroxy-3,7-dimethyloctyl)amino)benzoate?
The molecular weight of Methyl 2-((7-hydroxy-3,7-dimethyloctyl)amino)benzoate is 307.21 g/mol.
Where can I buy Methyl 2-((7-hydroxy-3,7-dimethyloctyl)amino)benzoate?
You can request a quote for Methyl 2-((7-hydroxy-3,7-dimethyloctyl)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-((7-hydroxy-3,7-dimethyloctyl)amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-((7-hydroxy-3,7-dimethyloctyl)amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.