RefChem:332501
TL;DR: RefChem:332501 (CAS 86627-77-2) is a chemical compound with molecular formula C20H31NO4S and molecular weight 381.20 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-octoxysulfanylcarbamate
Also Known As: Carbamic acid, methyl((octyloxy)thio)-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester, 2,3-Dihydro-2,2-dimethyl-7-benzofuranyl (methyl)(octyloxysulfenyl)carbamate, (2,2-dimethyl-3H-1-benzofuran-7-yl) N-methyl-N-octoxysulfanylcarbamate, 2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methyl[(octyloxy)sulfanyl]carbamate, CARBAMIC ACID, METHYL((OCTYLOXY)THIO)-, 2,3-DIHYDRO-2,2-DIMETHYL-7-BENZOFURANYL
| Molecular Formula | C20H31NO4S |
|---|---|
| Molecular Weight | 381.20 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 73.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 381.1974 |
| Heavy Atoms | 26 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 86627-77-2 |
|---|---|
| SMILES | CCCCCCCCOSN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C |
| InChIKey | HDTZMSVDRXFGIH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:332501 (CAS 86627-77-2), with molecular formula C20H31NO4S and molecular weight 381.20 g/mol. IUPAC: (2,2-dimethyl-3H-1-benzofuran-7-yl) N-methyl-N-octoxysulfanylcarbamate.
Chemical Property Profile of RefChem:332501
Property Insights of RefChem:332501
The XLogP value of 6.5 indicates that RefChem:332501 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:332501. Following Lipinski's Rule of Five, RefChem:332501 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:332501?
The CAS number of RefChem:332501 is 86627-77-2.
What is the molecular formula of RefChem:332501?
The molecular formula of RefChem:332501 is C20H31NO4S.
What is the molecular weight of RefChem:332501?
The molecular weight of RefChem:332501 is 381.20 g/mol.
Where can I buy RefChem:332501?
You can request a quote for RefChem:332501 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:332501?
Yes, KEHONG BIO provides custom synthesis services for RefChem:332501 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.