RefChem:332241
TL;DR: RefChem:332241 (CAS 86627-62-5) is a chemical compound with molecular formula C13H17NO4S and molecular weight 283.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-methoxysulfanyl-N-methylcarbamate
Also Known As: Carbamic acid, (methoxythio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester, (Methoxythio)methylcarbamic acid 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester, 2,3-Dihydro-2,2-dimethyl-7-benzofuranyl (methoxysulfenyl)(methyl)carbamate, 2,2-Dimethyl-2,3-dihydrobenzofuran-7-yl methoxythio(methyl)carbamate, (2,2-dimethyl-3H-1-benzofuran-7-yl) N-methoxysulfanyl-N-methylcarbamate
| Molecular Formula | C13H17NO4S |
|---|---|
| Molecular Weight | 283.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 73.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 283.08783 |
| Heavy Atoms | 19 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 86627-62-5 |
|---|---|
| SMILES | CC1(CC2=C(O1)C(=CC=C2)OC(=O)N(C)SOC)C |
| InChIKey | IICSVZNWLMLCAZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:332241 (CAS 86627-62-5), with molecular formula C13H17NO4S and molecular weight 283.09 g/mol. IUPAC: (2,2-dimethyl-3H-1-benzofuran-7-yl) N-methoxysulfanyl-N-methylcarbamate.
Chemical Property Profile of RefChem:332241
Property Insights of RefChem:332241
The XLogP value of 3.1 indicates that RefChem:332241 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.3 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:332241. Following Lipinski's Rule of Five, RefChem:332241 has 0 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 RefChem:332241?
The CAS number of RefChem:332241 is 86627-62-5.
What is the molecular formula of RefChem:332241?
The molecular formula of RefChem:332241 is C13H17NO4S.
What is the molecular weight of RefChem:332241?
The molecular weight of RefChem:332241 is 283.09 g/mol.
Where can I buy RefChem:332241?
You can request a quote for RefChem:332241 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:332241?
Yes, KEHONG BIO provides custom synthesis services for RefChem:332241 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.