RefChem:1076205
TL;DR: RefChem:1076205 (CAS 60439-45-4) is a chemical compound with molecular formula C18H27NO6 and molecular weight 353.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-morpholin-4-ylbutan-2-yl 3,4,5-trimethoxybenzoate
Also Known As: 4-morpholin-4-ylbutan-2-yl 3,4,5-trimethoxybenzoate, BENZOIC ACID, 3,4,5-TRIMETHOXY-, 1-METHYL-3-MORPHOLINOPROPYL ESTER, 1-Methyl-3-morpholinopropyl=3,4,5-trimethoxybenzoate, 4-27-00-00146 (Beilstein Handbook Reference), 4-(morpholin-4-yl)butan-2-yl 3,4,5-trimethoxybenzoate
| Molecular Formula | C18H27NO6 |
|---|---|
| Molecular Weight | 353.18 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 66.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 353.18384 |
| Heavy Atoms | 25 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 60439-45-4 |
|---|---|
| SMILES | CC(CCN1CCOCC1)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC |
| InChIKey | HGLBNWHEUMEGLM-UHFFFAOYSA-N |
Product Overview
RefChem:1076205 (CAS 60439-45-4), with molecular formula C18H27NO6 and molecular weight 353.18 g/mol. IUPAC: 4-morpholin-4-ylbutan-2-yl 3,4,5-trimethoxybenzoate.
Chemical Property Profile of RefChem:1076205
Property Insights of RefChem:1076205
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1076205. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1076205. Following Lipinski's Rule of Five, RefChem:1076205 has 0 hydrogen bond donor(s) and 7 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 RefChem:1076205?
The CAS number of RefChem:1076205 is 60439-45-4.
What is the molecular formula of RefChem:1076205?
The molecular formula of RefChem:1076205 is C18H27NO6.
What is the molecular weight of RefChem:1076205?
The molecular weight of RefChem:1076205 is 353.18 g/mol.
Where can I buy RefChem:1076205?
You can request a quote for RefChem:1076205 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1076205?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1076205 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.