2-Propenoic-3,3-d2 acid, 2-(methyl-d3)-, methyl-d3 ester
TL;DR: 2-Propenoic-3,3-d2 acid, 2-(methyl-d3)-, methyl-d3 ester (CAS 35233-69-3) is a chemical compound with molecular formula C5H8O2 and molecular weight 108.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trideuteriomethyl 3,3-dideuterio-2-(trideuteriomethyl)prop-2-enoate
Also Known As: Methyl methacrylate-d8, Pegalan, Perdeutero(methyl methacrylate), methylmethacrylate-d8, Methyl-d3 methacrylate-d5
| Molecular Formula | C5H8O2 |
|---|---|
| Molecular Weight | 108.10 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 108.102646 |
| Heavy Atoms | 7 |
| Complexity | 94.0 |
Chemical Identifiers
| CAS Number | 35233-69-3 |
|---|---|
| SMILES | [2H]C(=C(C(=O)OC([2H])([2H])[2H])C([2H])([2H])[2H])[2H] |
| InChIKey | VVQNEPGJFQJSBK-MGGKGRBPSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propenoic-3,3-d2 acid, 2-(methyl-d3)-, methyl-d3 ester (CAS 35233-69-3), with molecular formula C5H8O2 and molecular weight 108.10 g/mol. IUPAC: trideuteriomethyl 3,3-dideuterio-2-(trideuteriomethyl)prop-2-enoate.
Chemical Property Profile of 2-Propenoic-3,3-d2 acid, 2-(methyl-d3)-, methyl-d3 ester
Property Insights of 2-Propenoic-3,3-d2 acid, 2-(methyl-d3)-, methyl-d3 ester
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic-3,3-d2 acid, 2-(methyl-d3)-, methyl-d3 ester. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Propenoic-3,3-d2 acid, 2-(methyl-d3)-, methyl-d3 ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenoic-3,3-d2 acid, 2-(methyl-d3)-, methyl-d3 ester 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 2-Propenoic-3,3-d2 acid, 2-(methyl-d3)-, methyl-d3 ester?
The CAS number of 2-Propenoic-3,3-d2 acid, 2-(methyl-d3)-, methyl-d3 ester is 35233-69-3.
What is the molecular formula of 2-Propenoic-3,3-d2 acid, 2-(methyl-d3)-, methyl-d3 ester?
The molecular formula of 2-Propenoic-3,3-d2 acid, 2-(methyl-d3)-, methyl-d3 ester is C5H8O2.
What is the molecular weight of 2-Propenoic-3,3-d2 acid, 2-(methyl-d3)-, methyl-d3 ester?
The molecular weight of 2-Propenoic-3,3-d2 acid, 2-(methyl-d3)-, methyl-d3 ester is 108.10 g/mol.
Where can I buy 2-Propenoic-3,3-d2 acid, 2-(methyl-d3)-, methyl-d3 ester?
You can request a quote for 2-Propenoic-3,3-d2 acid, 2-(methyl-d3)-, methyl-d3 ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenoic-3,3-d2 acid, 2-(methyl-d3)-, methyl-d3 ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic-3,3-d2 acid, 2-(methyl-d3)-, methyl-d3 ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.