Phenyl (3,4,4-trimethyldioxetan-3-yl)methyl carbonate
TL;DR: Phenyl (3,4,4-trimethyldioxetan-3-yl)methyl carbonate (CAS 86969-15-5) is a chemical compound with molecular formula C13H16O5 and molecular weight 252.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl (3,4,4-trimethyldioxetan-3-yl)methyl carbonate
Also Known As: phenyl (3,4,4-trimethyldioxetan-3-yl)methyl carbonate, phenyl(3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl carbonate, Phenyl (3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl carbonate, Phenyl (3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl carbonate #, Carbonic acid, (3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl phenyl ester
| Molecular Formula | C13H16O5 |
|---|---|
| Molecular Weight | 252.10 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 252.09978 |
| Heavy Atoms | 18 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 86969-15-5 |
|---|---|
| SMILES | CC1(C(OO1)(C)COC(=O)OC2=CC=CC=C2)C |
| InChIKey | YDTDFUOZISJPHJ-UHFFFAOYSA-N |
Product Overview
Phenyl (3,4,4-trimethyldioxetan-3-yl)methyl carbonate (CAS 86969-15-5), with molecular formula C13H16O5 and molecular weight 252.10 g/mol. IUPAC: phenyl (3,4,4-trimethyldioxetan-3-yl)methyl carbonate.
Chemical Property Profile of Phenyl (3,4,4-trimethyldioxetan-3-yl)methyl carbonate
Property Insights of Phenyl (3,4,4-trimethyldioxetan-3-yl)methyl carbonate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl (3,4,4-trimethyldioxetan-3-yl)methyl carbonate. With a topological polar surface area (TPSA) of 54.0 Ų, Phenyl (3,4,4-trimethyldioxetan-3-yl)methyl carbonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl (3,4,4-trimethyldioxetan-3-yl)methyl carbonate 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 Phenyl (3,4,4-trimethyldioxetan-3-yl)methyl carbonate?
The CAS number of Phenyl (3,4,4-trimethyldioxetan-3-yl)methyl carbonate is 86969-15-5.
What is the molecular formula of Phenyl (3,4,4-trimethyldioxetan-3-yl)methyl carbonate?
The molecular formula of Phenyl (3,4,4-trimethyldioxetan-3-yl)methyl carbonate is C13H16O5.
What is the molecular weight of Phenyl (3,4,4-trimethyldioxetan-3-yl)methyl carbonate?
The molecular weight of Phenyl (3,4,4-trimethyldioxetan-3-yl)methyl carbonate is 252.10 g/mol.
Where can I buy Phenyl (3,4,4-trimethyldioxetan-3-yl)methyl carbonate?
You can request a quote for Phenyl (3,4,4-trimethyldioxetan-3-yl)methyl carbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl (3,4,4-trimethyldioxetan-3-yl)methyl carbonate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl (3,4,4-trimethyldioxetan-3-yl)methyl carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.