(2,2-Dimethyl-3-sulfooxy-3H-1-benzofuran-7-yl) N-methylcarbamate
TL;DR: (2,2-Dimethyl-3-sulfooxy-3H-1-benzofuran-7-yl) N-methylcarbamate (CAS 91179-44-1) is a chemical compound with molecular formula C12H15NO7S and molecular weight 317.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,2-dimethyl-3-sulfooxy-3H-1-benzofuran-7-yl) N-methylcarbamate
Also Known As: (2,2-Dimethyl-3-sulfooxy-3H-1-benzofuran-7-yl) N-methylcarbamate, 2,2-dimethyl-3-(sulfooxy)-2,3-dihydro-1-benzofuran-7-yl methylcarbamate, 2,2-dimethyl-7-(methylcarbamoyloxy)-3-sulfooxy-3H-benzofuran, 2,2-Dimethyl-3-(sulfooxy)-2,3-dihydro-1-benzofuran-7-yl hydrogen methylcarbonimidate
| Molecular Formula | C12H15NO7S |
|---|---|
| Molecular Weight | 317.06 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.05692 |
| Heavy Atoms | 21 |
| Complexity | 498.0 |
Chemical Identifiers
| CAS Number | 91179-44-1 |
|---|---|
| SMILES | CC1(C(C2=C(O1)C(=CC=C2)OC(=O)NC)OS(=O)(=O)O)C |
| InChIKey | AOTMTYIASVQVJB-UHFFFAOYSA-N |
Product Overview
(2,2-Dimethyl-3-sulfooxy-3H-1-benzofuran-7-yl) N-methylcarbamate (CAS 91179-44-1), with molecular formula C12H15NO7S and molecular weight 317.06 g/mol. IUPAC: (2,2-dimethyl-3-sulfooxy-3H-1-benzofuran-7-yl) N-methylcarbamate.
Chemical Property Profile of (2,2-Dimethyl-3-sulfooxy-3H-1-benzofuran-7-yl) N-methylcarbamate
Property Insights of (2,2-Dimethyl-3-sulfooxy-3H-1-benzofuran-7-yl) N-methylcarbamate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2,2-Dimethyl-3-sulfooxy-3H-1-benzofuran-7-yl) N-methylcarbamate. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2,2-Dimethyl-3-sulfooxy-3H-1-benzofuran-7-yl) N-methylcarbamate. Following Lipinski's Rule of Five, (2,2-Dimethyl-3-sulfooxy-3H-1-benzofuran-7-yl) N-methylcarbamate has 2 hydrogen bond donor(s) and 7 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 (2,2-Dimethyl-3-sulfooxy-3H-1-benzofuran-7-yl) N-methylcarbamate?
The CAS number of (2,2-Dimethyl-3-sulfooxy-3H-1-benzofuran-7-yl) N-methylcarbamate is 91179-44-1.
What is the molecular formula of (2,2-Dimethyl-3-sulfooxy-3H-1-benzofuran-7-yl) N-methylcarbamate?
The molecular formula of (2,2-Dimethyl-3-sulfooxy-3H-1-benzofuran-7-yl) N-methylcarbamate is C12H15NO7S.
What is the molecular weight of (2,2-Dimethyl-3-sulfooxy-3H-1-benzofuran-7-yl) N-methylcarbamate?
The molecular weight of (2,2-Dimethyl-3-sulfooxy-3H-1-benzofuran-7-yl) N-methylcarbamate is 317.06 g/mol.
Where can I buy (2,2-Dimethyl-3-sulfooxy-3H-1-benzofuran-7-yl) N-methylcarbamate?
You can request a quote for (2,2-Dimethyl-3-sulfooxy-3H-1-benzofuran-7-yl) N-methylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,2-Dimethyl-3-sulfooxy-3H-1-benzofuran-7-yl) N-methylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for (2,2-Dimethyl-3-sulfooxy-3H-1-benzofuran-7-yl) N-methylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.