RefChem:331662
TL;DR: RefChem:331662 (CAS 86627-75-0) is a chemical compound with molecular formula C17H25NO4S and molecular weight 339.15 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-methyl-N-pentan-3-yloxysulfanylcarbamate
Also Known As: Carbamic acid, ((1-ethylpropoxy)thio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester, 2,3-Dihydro-2,2-dimethyl-7-benzofuranyl (1-ethylpropoxysulfenyl)(methyl)carbamate, (2,2-dimethyl-3H-1-benzofuran-7-yl) N-methyl-N-pentan-3-yloxysulfanylcarbamate, 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl methyl{[(pentan-3-yl)oxy]sulfanyl}carbamate, RefChem:331662
| Molecular Formula | C17H25NO4S |
|---|---|
| Molecular Weight | 339.15 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 73.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 339.15042 |
| Heavy Atoms | 23 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 86627-75-0 |
|---|---|
| SMILES | CCC(CC)OSN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C |
| InChIKey | WQBWMENXEKKXIA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:331662 (CAS 86627-75-0), with molecular formula C17H25NO4S and molecular weight 339.15 g/mol. IUPAC: (2,2-dimethyl-3H-1-benzofuran-7-yl) N-methyl-N-pentan-3-yloxysulfanylcarbamate.
Chemical Property Profile of RefChem:331662
Property Insights of RefChem:331662
The XLogP value of 4.9 indicates that RefChem:331662 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:331662. Following Lipinski's Rule of Five, RefChem:331662 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:331662?
The CAS number of RefChem:331662 is 86627-75-0.
What is the molecular formula of RefChem:331662?
The molecular formula of RefChem:331662 is C17H25NO4S.
What is the molecular weight of RefChem:331662?
The molecular weight of RefChem:331662 is 339.15 g/mol.
Where can I buy RefChem:331662?
You can request a quote for RefChem:331662 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:331662?
Yes, KEHONG BIO provides custom synthesis services for RefChem:331662 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.