RefChem:332239
TL;DR: RefChem:332239 (CAS 86627-74-9) is a chemical compound with molecular formula C13H17NO4S2 and molecular weight 315.06 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-(methoxydisulfanyl)-N-methylcarbamate
Also Known As: Carbamic acid, (methoxydithio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester, 2,3-Dihydro-2,2-dimethyl-7-benzofuranyl (methoxydisulfide)(methyl)carbamate, (2,2-Dimethyl-3H-1-benzofuran-7-yl)n-methoxydisulfanyl-N-methylcarbamate, 2,2-Dimethyl-2,3-dihydrobenzofuran-7-yl (methoxydisulfanyl)(methyl)carbamate, (2,2-dimethyl-3H-benzofuran-7-yl) N-methoxydisulfanyl-N-methyl-carbamate
| Molecular Formula | C13H17NO4S2 |
|---|---|
| Molecular Weight | 315.06 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 98.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 315.0599 |
| Heavy Atoms | 20 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 86627-74-9 |
|---|---|
| SMILES | CC1(CC2=C(O1)C(=CC=C2)OC(=O)N(C)SSOC)C |
| InChIKey | YCUZMNIAAYWKFY-UHFFFAOYSA-N |
Product Overview
RefChem:332239 (CAS 86627-74-9), with molecular formula C13H17NO4S2 and molecular weight 315.06 g/mol. IUPAC: (2,2-dimethyl-3H-1-benzofuran-7-yl) N-(methoxydisulfanyl)-N-methylcarbamate.
Chemical Property Profile of RefChem:332239
Property Insights of RefChem:332239
The XLogP value of 3.5 indicates that RefChem:332239 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:332239. Following Lipinski's Rule of Five, RefChem:332239 has 0 hydrogen bond donor(s) and 6 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:332239?
The CAS number of RefChem:332239 is 86627-74-9.
What is the molecular formula of RefChem:332239?
The molecular formula of RefChem:332239 is C13H17NO4S2.
What is the molecular weight of RefChem:332239?
The molecular weight of RefChem:332239 is 315.06 g/mol.
Where can I buy RefChem:332239?
You can request a quote for RefChem:332239 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:332239?
Yes, KEHONG BIO provides custom synthesis services for RefChem:332239 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.