2-Methyl-2-(4-(1-methylethyl)phenyl)-1,3-oxathiolane-5-methanol carbamate
TL;DR: 2-Methyl-2-(4-(1-methylethyl)phenyl)-1,3-oxathiolane-5-methanol carbamate (CAS 5465-92-9) is a chemical compound with molecular formula C15H21NO3S and molecular weight 295.12 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-oxathiolan-5-yl]methyl carbamate
Also Known As: KST-1B5390, 5-19-02-00586 (Beilstein Handbook Reference), 2-Methyl-2-(4-(1-methylethyl)phenyl)-1,3-oxathiolane-5-methanol carbamate, {2-methyl-2-[4-(propan-2-yl)phenyl]-1,3-oxathiolan-5-yl}methyl carbamate, 1,3-Oxathiolane-5-methanol, 2-methyl-2-(4-(1-methylethyl)phenyl)-, carbamate
| Molecular Formula | C15H21NO3S |
|---|---|
| Molecular Weight | 295.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 86.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 295.1242 |
| Heavy Atoms | 20 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 5465-92-9 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)C2(OC(CS2)COC(=O)N)C |
| InChIKey | HEALGMFUJXABDH-UHFFFAOYSA-N |
Product Overview
2-Methyl-2-(4-(1-methylethyl)phenyl)-1,3-oxathiolane-5-methanol carbamate (CAS 5465-92-9), with molecular formula C15H21NO3S and molecular weight 295.12 g/mol. IUPAC: [2-methyl-2-(4-propan-2-ylphenyl)-1,3-oxathiolan-5-yl]methyl carbamate.
Chemical Property Profile of 2-Methyl-2-(4-(1-methylethyl)phenyl)-1,3-oxathiolane-5-methanol carbamate
Property Insights of 2-Methyl-2-(4-(1-methylethyl)phenyl)-1,3-oxathiolane-5-methanol carbamate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-2-(4-(1-methylethyl)phenyl)-1,3-oxathiolane-5-methanol carbamate. The TPSA of 86.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-2-(4-(1-methylethyl)phenyl)-1,3-oxathiolane-5-methanol carbamate. Following Lipinski's Rule of Five, 2-Methyl-2-(4-(1-methylethyl)phenyl)-1,3-oxathiolane-5-methanol 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 2-Methyl-2-(4-(1-methylethyl)phenyl)-1,3-oxathiolane-5-methanol carbamate?
The CAS number of 2-Methyl-2-(4-(1-methylethyl)phenyl)-1,3-oxathiolane-5-methanol carbamate is 5465-92-9.
What is the molecular formula of 2-Methyl-2-(4-(1-methylethyl)phenyl)-1,3-oxathiolane-5-methanol carbamate?
The molecular formula of 2-Methyl-2-(4-(1-methylethyl)phenyl)-1,3-oxathiolane-5-methanol carbamate is C15H21NO3S.
What is the molecular weight of 2-Methyl-2-(4-(1-methylethyl)phenyl)-1,3-oxathiolane-5-methanol carbamate?
The molecular weight of 2-Methyl-2-(4-(1-methylethyl)phenyl)-1,3-oxathiolane-5-methanol carbamate is 295.12 g/mol.
Where can I buy 2-Methyl-2-(4-(1-methylethyl)phenyl)-1,3-oxathiolane-5-methanol carbamate?
You can request a quote for 2-Methyl-2-(4-(1-methylethyl)phenyl)-1,3-oxathiolane-5-methanol carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-2-(4-(1-methylethyl)phenyl)-1,3-oxathiolane-5-methanol carbamate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-2-(4-(1-methylethyl)phenyl)-1,3-oxathiolane-5-methanol carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.