1,3-Oxathiolane-5-methanol, 2-methyl-2-phenyl-, carbamate
TL;DR: 1,3-Oxathiolane-5-methanol, 2-methyl-2-phenyl-, carbamate (CAS 5465-98-5) is a chemical compound with molecular formula C12H15NO3S and molecular weight 253.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methyl-2-phenyl-1,3-oxathiolan-5-yl)methyl carbamate
Also Known As: (2-methyl-2-phenyl-1,3-oxathiolan-5-yl)methyl carbamate, 2-Methyl-2-phenyl-1,3-oxathiolane-5-methanol carbamate, 1,3-Oxathiolane-5-methanol, 2-methyl-2-phenyl-, carbamate, 5-19-02-00571 (Beilstein Handbook Reference), 5-carbamoyloxymethyl-2-methyl-2-phenyl-[1,3]oxathiolane
| Molecular Formula | C12H15NO3S |
|---|---|
| Molecular Weight | 253.08 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 86.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 253.07727 |
| Heavy Atoms | 17 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 5465-98-5 |
|---|---|
| SMILES | CC1(OC(CS1)COC(=O)N)C2=CC=CC=C2 |
| InChIKey | LXDBZXKZNYQYON-UHFFFAOYSA-N |
Product Overview
1,3-Oxathiolane-5-methanol, 2-methyl-2-phenyl-, carbamate (CAS 5465-98-5), with molecular formula C12H15NO3S and molecular weight 253.08 g/mol. IUPAC: (2-methyl-2-phenyl-1,3-oxathiolan-5-yl)methyl carbamate.
Chemical Property Profile of 1,3-Oxathiolane-5-methanol, 2-methyl-2-phenyl-, carbamate
Property Insights of 1,3-Oxathiolane-5-methanol, 2-methyl-2-phenyl-, carbamate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Oxathiolane-5-methanol, 2-methyl-2-phenyl-, carbamate. The TPSA of 86.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Oxathiolane-5-methanol, 2-methyl-2-phenyl-, carbamate. Following Lipinski's Rule of Five, 1,3-Oxathiolane-5-methanol, 2-methyl-2-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-Oxathiolane-5-methanol, 2-methyl-2-phenyl-, carbamate?
The CAS number of 1,3-Oxathiolane-5-methanol, 2-methyl-2-phenyl-, carbamate is 5465-98-5.
What is the molecular formula of 1,3-Oxathiolane-5-methanol, 2-methyl-2-phenyl-, carbamate?
The molecular formula of 1,3-Oxathiolane-5-methanol, 2-methyl-2-phenyl-, carbamate is C12H15NO3S.
What is the molecular weight of 1,3-Oxathiolane-5-methanol, 2-methyl-2-phenyl-, carbamate?
The molecular weight of 1,3-Oxathiolane-5-methanol, 2-methyl-2-phenyl-, carbamate is 253.08 g/mol.
Where can I buy 1,3-Oxathiolane-5-methanol, 2-methyl-2-phenyl-, carbamate?
You can request a quote for 1,3-Oxathiolane-5-methanol, 2-methyl-2-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-Oxathiolane-5-methanol, 2-methyl-2-phenyl-, carbamate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Oxathiolane-5-methanol, 2-methyl-2-phenyl-, carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.