![Methyl 2,2,4,4-tetramethylbicyclo[1.1.0]butane-3-carboxylate structure](/static/products/1993/19931-20-5.webp)
Methyl 2,2,4,4-tetramethylbicyclo[1.1.0]butane-3-carboxylate
TL;DR: Methyl 2,2,4,4-tetramethylbicyclo[1.1.0]butane-3-carboxylate (CAS 19931-20-5) is a chemical compound with molecular formula C10H16O2 and molecular weight 168.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,2,4,4-tetramethylbicyclo[1.1.0]butane-1-carboxylate
Also Known As: Methyl 2,2,4,4-tetramethylbicyclo[1.1.0]butane-1-carboxylate, methyl 2,2,4,4-tetramethylbicyclo[1.1.0]butane-3-carboxylate, 2,2,4,4-Tetramethylbicyclo[1.1.0]butane-1-carboxylic acid methyl ester, Bicyclo[1.1.0]butane-1-carboxylic acid, 2,2,4,4-tetramethyl-, methyl ester, Methyl 2,2,4,4-tetramethylbicyclo[1.1.0]butane-1-carboxylate #
| Molecular Formula | C10H16O2 |
|---|---|
| Molecular Weight | 168.12 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.11504 |
| Heavy Atoms | 12 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 19931-20-5 |
|---|---|
| SMILES | CC1(C2C1(C2(C)C)C(=O)OC)C |
| InChIKey | ZBBOKFDBNDFUFS-UHFFFAOYSA-N |
Product Overview
Methyl 2,2,4,4-tetramethylbicyclo[1.1.0]butane-3-carboxylate (CAS 19931-20-5), with molecular formula C10H16O2 and molecular weight 168.12 g/mol. IUPAC: methyl 2,2,4,4-tetramethylbicyclo[1.1.0]butane-1-carboxylate.
Chemical Property Profile of Methyl 2,2,4,4-tetramethylbicyclo[1.1.0]butane-3-carboxylate
Property Insights of Methyl 2,2,4,4-tetramethylbicyclo[1.1.0]butane-3-carboxylate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2,2,4,4-tetramethylbicyclo[1.1.0]butane-3-carboxylate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 2,2,4,4-tetramethylbicyclo[1.1.0]butane-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2,2,4,4-tetramethylbicyclo[1.1.0]butane-3-carboxylate has 0 hydrogen bond donor(s) and 2 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 2,2,4,4-tetramethylbicyclo[1.1.0]butane-3-carboxylate?
The CAS number of Methyl 2,2,4,4-tetramethylbicyclo[1.1.0]butane-3-carboxylate is 19931-20-5.
What is the molecular formula of Methyl 2,2,4,4-tetramethylbicyclo[1.1.0]butane-3-carboxylate?
The molecular formula of Methyl 2,2,4,4-tetramethylbicyclo[1.1.0]butane-3-carboxylate is C10H16O2.
What is the molecular weight of Methyl 2,2,4,4-tetramethylbicyclo[1.1.0]butane-3-carboxylate?
The molecular weight of Methyl 2,2,4,4-tetramethylbicyclo[1.1.0]butane-3-carboxylate is 168.12 g/mol.
Where can I buy Methyl 2,2,4,4-tetramethylbicyclo[1.1.0]butane-3-carboxylate?
You can request a quote for Methyl 2,2,4,4-tetramethylbicyclo[1.1.0]butane-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2,2,4,4-tetramethylbicyclo[1.1.0]butane-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2,2,4,4-tetramethylbicyclo[1.1.0]butane-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.