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Methyl 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate
TL;DR: Methyl 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate (CAS 415951-60-9) is a chemical compound with molecular formula C15H21NO3 and molecular weight 263.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate
Also Known As: Methyl 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate, methyl 4-{[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl}benzoate, 4-(2,6-Dimethylmorpholin-4-ylmethyl)-benzoic acid methyl ester, Methyl 4-{[cis-2,6-dimethylmorpholin-4-yl]-methyl}benzoate, 4-(2,6-Dimethyl-morpholin-4-ylmethyl)-benzoic acid methyl ester
| Molecular Formula | C15H21NO3 |
|---|---|
| Molecular Weight | 263.15 g/mol |
| LogP | 2.0824 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 263.15213 |
| Heavy Atoms | 19 |
| Complexity | 419.52176 |
Chemical Identifiers
| CAS Number | 415951-60-9 |
|---|---|
| SMILES | CC1CN(CC(O1)C)CC2=CC=C(C=C2)C(=O)OC |
Product Overview
Methyl 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate (CAS 415951-60-9), with molecular formula C15H21NO3 and molecular weight 263.15 g/mol. IUPAC: methyl 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate.
Chemical Property Profile of Methyl 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate
Property Insights of Methyl 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate
The XLogP value of 2.0824 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate. With a topological polar surface area (TPSA) of 38.77 Ų, Methyl 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate has 0 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 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate?
The CAS number of Methyl 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate is 415951-60-9.
What is the molecular formula of Methyl 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate?
The molecular formula of Methyl 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate is C15H21NO3.
What is the molecular weight of Methyl 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate?
The molecular weight of Methyl 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate is 263.15 g/mol.
Where can I buy Methyl 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate?
You can request a quote for Methyl 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.