![dimethyl 5-{[(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]hept-1-yl)carbonyl]amino}isophthalate structure](/static/products/6184/618401-51-7.webp)
dimethyl 5-{[(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]hept-1-yl)carbonyl]amino}isophthalate
TL;DR: dimethyl 5-{[(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]hept-1-yl)carbonyl]amino}isophthalate (CAS 618401-51-7) is a chemical compound with molecular formula C20H23NO7 and molecular weight 389.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)amino]benzene-1,3-dicarboxylate
Also Known As: dimethyl 5-{[(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]hept-1-yl)carbonyl]amino}isophthalate, dimethyl 5-((1S,4S)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamido)isophthalate, dimethyl 5-[(1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carbonyl)amino]benzene-1,3-dicarboxylate, dimethyl 5-{[(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]hept-1-yl)carbonyl]amino}benzene-1,3-dicarboxylate, methyl 3-(methoxycarbonyl)-5-[(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptyl )carbonylamino]benzoate
| Molecular Formula | C20H23NO7 |
|---|---|
| Molecular Weight | 389.15 g/mol |
| LogP | 2.3202 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 389.14746 |
| Heavy Atoms | 28 |
| Complexity | 856.29047 |
Chemical Identifiers
| CAS Number | 618401-51-7 |
|---|---|
| SMILES | CC1(C2(CCC1(OC2=O)C(=O)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC)C)C |
Product Overview
dimethyl 5-{[(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]hept-1-yl)carbonyl]amino}isophthalate (CAS 618401-51-7), with molecular formula C20H23NO7 and molecular weight 389.15 g/mol. IUPAC: dimethyl 5-[(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of dimethyl 5-{[(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]hept-1-yl)carbonyl]amino}isophthalate
Property Insights of dimethyl 5-{[(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]hept-1-yl)carbonyl]amino}isophthalate
The XLogP value of 2.3202 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl 5-{[(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]hept-1-yl)carbonyl]amino}isophthalate. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 5-{[(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]hept-1-yl)carbonyl]amino}isophthalate. Following Lipinski's Rule of Five, dimethyl 5-{[(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]hept-1-yl)carbonyl]amino}isophthalate has 1 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 dimethyl 5-{[(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]hept-1-yl)carbonyl]amino}isophthalate?
The CAS number of dimethyl 5-{[(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]hept-1-yl)carbonyl]amino}isophthalate is 618401-51-7.
What is the molecular formula of dimethyl 5-{[(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]hept-1-yl)carbonyl]amino}isophthalate?
The molecular formula of dimethyl 5-{[(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]hept-1-yl)carbonyl]amino}isophthalate is C20H23NO7.
What is the molecular weight of dimethyl 5-{[(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]hept-1-yl)carbonyl]amino}isophthalate?
The molecular weight of dimethyl 5-{[(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]hept-1-yl)carbonyl]amino}isophthalate is 389.15 g/mol.
Where can I buy dimethyl 5-{[(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]hept-1-yl)carbonyl]amino}isophthalate?
You can request a quote for dimethyl 5-{[(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]hept-1-yl)carbonyl]amino}isophthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl 5-{[(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]hept-1-yl)carbonyl]amino}isophthalate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 5-{[(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]hept-1-yl)carbonyl]amino}isophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.