Carbonic acid, methyl (3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl ester
TL;DR: Carbonic acid, methyl (3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl ester (CAS 118993-31-0) is a chemical compound with molecular formula C8H14O5 and molecular weight 190.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (3,4,4-trimethyldioxetan-3-yl)methyl carbonate
Also Known As: Methyl (3,4,4-trimethyldioxetan-3-yl)methyl Carbonate, Carbonic acid, methyl (3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl ester, methyl(3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl carbonate, Phosphonothioic diamide,P-methyl-N,N'-bis(1-methylpropyl), METHYL (3,4,4-TRIMETHYL-1,2-DIOXETAN-3-YL)METHYL CARBONATE
| Molecular Formula | C8H14O5 |
|---|---|
| Molecular Weight | 190.08 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 190.08412 |
| Heavy Atoms | 13 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 118993-31-0 |
|---|---|
| SMILES | CC1(C(OO1)(C)COC(=O)OC)C |
| InChIKey | OVVGTARUYORAIO-UHFFFAOYSA-N |
Product Overview
Carbonic acid, methyl (3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl ester (CAS 118993-31-0), with molecular formula C8H14O5 and molecular weight 190.08 g/mol. IUPAC: methyl (3,4,4-trimethyldioxetan-3-yl)methyl carbonate.
Chemical Property Profile of Carbonic acid, methyl (3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl ester
Property Insights of Carbonic acid, methyl (3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl ester
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbonic acid, methyl (3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl ester. With a topological polar surface area (TPSA) of 54.0 Ų, Carbonic acid, methyl (3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbonic acid, methyl (3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl ester has 0 hydrogen bond donor(s) and 5 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 Carbonic acid, methyl (3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl ester?
The CAS number of Carbonic acid, methyl (3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl ester is 118993-31-0.
What is the molecular formula of Carbonic acid, methyl (3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl ester?
The molecular formula of Carbonic acid, methyl (3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl ester is C8H14O5.
What is the molecular weight of Carbonic acid, methyl (3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl ester?
The molecular weight of Carbonic acid, methyl (3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl ester is 190.08 g/mol.
Where can I buy Carbonic acid, methyl (3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl ester?
You can request a quote for Carbonic acid, methyl (3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbonic acid, methyl (3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbonic acid, methyl (3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.