1,3-Dithiolane-4-methanol, 2-methyl-2-(4-(1-methylethyl)phenyl)-, carbamate
TL;DR: 1,3-Dithiolane-4-methanol, 2-methyl-2-(4-(1-methylethyl)phenyl)-, carbamate (CAS 5466-17-1) is a chemical compound with molecular formula C15H21NO2S2 and molecular weight 311.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-methyl-2-(4-propan-2-ylphenyl)-1,3-dithiolan-4-yl]methyl carbamate
Also Known As: 5-19-02-00586 (Beilstein Handbook Reference), 2-Methyl-2-(4-(1-methylethyl)phenyl)-1,3-dithiolane-4-methanol carbamate, 1,3-Dithiolane-4-methanol, 2-methyl-2-(4-(1-methylethyl)phenyl)-, carbamate, {2-methyl-2-[4-(propan-2-yl)phenyl]-1,3-dithiolan-4-yl}methyl carbamate, [2-methyl-2-(4-propan-2-ylphenyl)-1,3-dithiolan-4-yl]methyl carbamate
| Molecular Formula | C15H21NO2S2 |
|---|---|
| Molecular Weight | 311.10 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 311.10138 |
| Heavy Atoms | 20 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 5466-17-1 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)C2(SCC(S2)COC(=O)N)C |
| InChIKey | CXTZVUUTBSIQMU-UHFFFAOYSA-N |
Product Overview
1,3-Dithiolane-4-methanol, 2-methyl-2-(4-(1-methylethyl)phenyl)-, carbamate (CAS 5466-17-1), with molecular formula C15H21NO2S2 and molecular weight 311.10 g/mol. IUPAC: [2-methyl-2-(4-propan-2-ylphenyl)-1,3-dithiolan-4-yl]methyl carbamate.
Chemical Property Profile of 1,3-Dithiolane-4-methanol, 2-methyl-2-(4-(1-methylethyl)phenyl)-, carbamate
Property Insights of 1,3-Dithiolane-4-methanol, 2-methyl-2-(4-(1-methylethyl)phenyl)-, carbamate
The XLogP value of 3.6 indicates that 1,3-Dithiolane-4-methanol, 2-methyl-2-(4-(1-methylethyl)phenyl)-, carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dithiolane-4-methanol, 2-methyl-2-(4-(1-methylethyl)phenyl)-, carbamate. Following Lipinski's Rule of Five, 1,3-Dithiolane-4-methanol, 2-methyl-2-(4-(1-methylethyl)phenyl)-, carbamate has 1 hydrogen bond donor(s) and 4 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 1,3-Dithiolane-4-methanol, 2-methyl-2-(4-(1-methylethyl)phenyl)-, carbamate?
The CAS number of 1,3-Dithiolane-4-methanol, 2-methyl-2-(4-(1-methylethyl)phenyl)-, carbamate is 5466-17-1.
What is the molecular formula of 1,3-Dithiolane-4-methanol, 2-methyl-2-(4-(1-methylethyl)phenyl)-, carbamate?
The molecular formula of 1,3-Dithiolane-4-methanol, 2-methyl-2-(4-(1-methylethyl)phenyl)-, carbamate is C15H21NO2S2.
What is the molecular weight of 1,3-Dithiolane-4-methanol, 2-methyl-2-(4-(1-methylethyl)phenyl)-, carbamate?
The molecular weight of 1,3-Dithiolane-4-methanol, 2-methyl-2-(4-(1-methylethyl)phenyl)-, carbamate is 311.10 g/mol.
Where can I buy 1,3-Dithiolane-4-methanol, 2-methyl-2-(4-(1-methylethyl)phenyl)-, carbamate?
You can request a quote for 1,3-Dithiolane-4-methanol, 2-methyl-2-(4-(1-methylethyl)phenyl)-, carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dithiolane-4-methanol, 2-methyl-2-(4-(1-methylethyl)phenyl)-, carbamate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dithiolane-4-methanol, 2-methyl-2-(4-(1-methylethyl)phenyl)-, carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.