1,3,3-Trimethylbicyclo(2.2.1)hept-2-yl 3-methylbutanoate
TL;DR: 1,3,3-Trimethylbicyclo(2.2.1)hept-2-yl 3-methylbutanoate (CAS 6656-35-5) is a chemical compound with molecular formula C14H14O and molecular weight 198.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethoxy-4-phenylbenzene
Also Known As: 4-ethoxybiphenyl, p-Phenylphenetole, 1-ethoxy-4-phenylbenzene, p-Ethoxybiphenyl, 4-ethoxy-1,1'-biphenyl
| Molecular Formula | C14H14O |
|---|---|
| Molecular Weight | 198.10 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.10446 |
| Heavy Atoms | 15 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 6656-35-5 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2=CC=CC=C2 |
| InChIKey | QRYTXFUBAZNNBP-UHFFFAOYSA-N |
Product Overview
1,3,3-Trimethylbicyclo(2.2.1)hept-2-yl 3-methylbutanoate (CAS 6656-35-5), with molecular formula C14H14O and molecular weight 198.10 g/mol. IUPAC: 1-ethoxy-4-phenylbenzene.
Chemical Property Profile of 1,3,3-Trimethylbicyclo(2.2.1)hept-2-yl 3-methylbutanoate
Property Insights of 1,3,3-Trimethylbicyclo(2.2.1)hept-2-yl 3-methylbutanoate
The XLogP value of 4.3 indicates that 1,3,3-Trimethylbicyclo(2.2.1)hept-2-yl 3-methylbutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 1,3,3-Trimethylbicyclo(2.2.1)hept-2-yl 3-methylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,3-Trimethylbicyclo(2.2.1)hept-2-yl 3-methylbutanoate has 0 hydrogen bond donor(s) and 1 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 1,3,3-Trimethylbicyclo(2.2.1)hept-2-yl 3-methylbutanoate?
The CAS number of 1,3,3-Trimethylbicyclo(2.2.1)hept-2-yl 3-methylbutanoate is 6656-35-5.
What is the molecular formula of 1,3,3-Trimethylbicyclo(2.2.1)hept-2-yl 3-methylbutanoate?
The molecular formula of 1,3,3-Trimethylbicyclo(2.2.1)hept-2-yl 3-methylbutanoate is C14H14O.
What is the molecular weight of 1,3,3-Trimethylbicyclo(2.2.1)hept-2-yl 3-methylbutanoate?
The molecular weight of 1,3,3-Trimethylbicyclo(2.2.1)hept-2-yl 3-methylbutanoate is 198.10 g/mol.
Where can I buy 1,3,3-Trimethylbicyclo(2.2.1)hept-2-yl 3-methylbutanoate?
You can request a quote for 1,3,3-Trimethylbicyclo(2.2.1)hept-2-yl 3-methylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,3-Trimethylbicyclo(2.2.1)hept-2-yl 3-methylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for 1,3,3-Trimethylbicyclo(2.2.1)hept-2-yl 3-methylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.