4-Pyridinylcarbamic acid (3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl ester
TL;DR: 4-Pyridinylcarbamic acid (3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl ester (CAS 107323-99-9) is a chemical compound with molecular formula C12H16N2O4 and molecular weight 252.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4,4-trimethyldioxetan-3-yl)methyl N-pyridin-4-ylcarbamate
Also Known As: 4-Pyridinylcarbamic acid (3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl ester, Thieno[2,3-b]quinoxaline-2-carboxylic acid, (3,4,4-trimethyldioxetan-3-yl)methyl N-pyridin-4-ylcarbamate, 3-(N-(4-Pyridino)carbamoyl)methyl-3,4,4-trimethyl-1,2-dioxetane, CARBAMIC ACID, 4-PYRIDINYL-, (3,4,4-TRIMETHYL-1,2-DIOXETAN-3-YL)METHYL ESTER
| Molecular Formula | C12H16N2O4 |
|---|---|
| Molecular Weight | 252.11 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.11101 |
| Heavy Atoms | 18 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 107323-99-9 |
|---|---|
| SMILES | CC1(C(OO1)(C)COC(=O)NC2=CC=NC=C2)C |
| InChIKey | WCMZGQFICUWNJP-UHFFFAOYSA-N |
Product Overview
4-Pyridinylcarbamic acid (3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl ester (CAS 107323-99-9), with molecular formula C12H16N2O4 and molecular weight 252.11 g/mol. IUPAC: (3,4,4-trimethyldioxetan-3-yl)methyl N-pyridin-4-ylcarbamate.
Chemical Property Profile of 4-Pyridinylcarbamic acid (3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl ester
Property Insights of 4-Pyridinylcarbamic acid (3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl ester
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Pyridinylcarbamic acid (3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl ester. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Pyridinylcarbamic acid (3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl ester. Following Lipinski's Rule of Five, 4-Pyridinylcarbamic acid (3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl ester has 1 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 4-Pyridinylcarbamic acid (3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl ester?
The CAS number of 4-Pyridinylcarbamic acid (3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl ester is 107323-99-9.
What is the molecular formula of 4-Pyridinylcarbamic acid (3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl ester?
The molecular formula of 4-Pyridinylcarbamic acid (3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl ester is C12H16N2O4.
What is the molecular weight of 4-Pyridinylcarbamic acid (3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl ester?
The molecular weight of 4-Pyridinylcarbamic acid (3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl ester is 252.11 g/mol.
Where can I buy 4-Pyridinylcarbamic acid (3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl ester?
You can request a quote for 4-Pyridinylcarbamic acid (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 4-Pyridinylcarbamic acid (3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Pyridinylcarbamic acid (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.