1-(4-Methoxyphenyl)-4-isopropylbicycloorthocarboxylate
TL;DR: 1-(4-Methoxyphenyl)-4-isopropylbicycloorthocarboxylate (CAS 99250-49-4) is a chemical compound with molecular formula C15H20O4 and molecular weight 264.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methoxyphenyl)-4-propan-2-yl-2,6,7-trioxabicyclo[2.2.2]octane
Also Known As: 1-(4-Methoxyphenyl)-4-isopropylbicycloorthocarboxylate, Orthobenzoic acid, p-methoxy-, cyclic ester with 2-(hydroxymethyl)-2-isopropyl-1,3-propanediol, p-Methoxyorthobenzoic acid cyclic ester with 2-(hydroxymethyl)-2-isopropyl-1,3-propanediol, 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-methoxyphenyl)-4-(1-methylethyl)-, 1-(4-Methoxyphenyl)-4-(propan-2-yl)-2,6,7-trioxabicyclo[2.2.2]octane
| Molecular Formula | C15H20O4 |
|---|---|
| Molecular Weight | 264.14 g/mol |
| LogP | 2.5249 |
| Topological Polar Surface Area | 36.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 264.13617 |
| Heavy Atoms | 19 |
| Complexity | 427.189 |
Chemical Identifiers
| CAS Number | 99250-49-4 |
|---|---|
| SMILES | CC(C)C12COC(OC1)(OC2)C3=CC=C(C=C3)OC |
Product Overview
1-(4-Methoxyphenyl)-4-isopropylbicycloorthocarboxylate (CAS 99250-49-4), with molecular formula C15H20O4 and molecular weight 264.14 g/mol. IUPAC: 1-(4-methoxyphenyl)-4-propan-2-yl-2,6,7-trioxabicyclo[2.2.2]octane.
Chemical Property Profile of 1-(4-Methoxyphenyl)-4-isopropylbicycloorthocarboxylate
Property Insights of 1-(4-Methoxyphenyl)-4-isopropylbicycloorthocarboxylate
The XLogP value of 2.5249 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Methoxyphenyl)-4-isopropylbicycloorthocarboxylate. With a topological polar surface area (TPSA) of 36.92 Ų, 1-(4-Methoxyphenyl)-4-isopropylbicycloorthocarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Methoxyphenyl)-4-isopropylbicycloorthocarboxylate 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 1-(4-Methoxyphenyl)-4-isopropylbicycloorthocarboxylate?
The CAS number of 1-(4-Methoxyphenyl)-4-isopropylbicycloorthocarboxylate is 99250-49-4.
What is the molecular formula of 1-(4-Methoxyphenyl)-4-isopropylbicycloorthocarboxylate?
The molecular formula of 1-(4-Methoxyphenyl)-4-isopropylbicycloorthocarboxylate is C15H20O4.
What is the molecular weight of 1-(4-Methoxyphenyl)-4-isopropylbicycloorthocarboxylate?
The molecular weight of 1-(4-Methoxyphenyl)-4-isopropylbicycloorthocarboxylate is 264.14 g/mol.
Where can I buy 1-(4-Methoxyphenyl)-4-isopropylbicycloorthocarboxylate?
You can request a quote for 1-(4-Methoxyphenyl)-4-isopropylbicycloorthocarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Methoxyphenyl)-4-isopropylbicycloorthocarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methoxyphenyl)-4-isopropylbicycloorthocarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.