RefChem:331713
TL;DR: RefChem:331713 (CAS 86627-73-8) is a chemical compound with molecular formula C18H27NO4S2 and molecular weight 385.14 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-(hexoxydisulfanyl)-N-methylcarbamate
Also Known As: Carbamic acid, ((hexyloxy)dithio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester, 2,3-Dihydro-2,2-dimethyl-7-benzofuranyl (hexyloxydisulfide)(methyl)carbamate, (2,2-dimethyl-3H-1-benzofuran-7-yl) N-(hexoxydisulfanyl)-N-methylcarbamate, 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl [(hexyloxy)disulfanyl](methyl)carbamate, RefChem:331713
| Molecular Formula | C18H27NO4S2 |
|---|---|
| Molecular Weight | 385.14 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 98.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 385.13815 |
| Heavy Atoms | 25 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 86627-73-8 |
|---|---|
| SMILES | CCCCCCOSSN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C |
| InChIKey | MRAMMPPESLZGCU-UHFFFAOYSA-N |
Product Overview
RefChem:331713 (CAS 86627-73-8), with molecular formula C18H27NO4S2 and molecular weight 385.14 g/mol. IUPAC: (2,2-dimethyl-3H-1-benzofuran-7-yl) N-(hexoxydisulfanyl)-N-methylcarbamate.
Chemical Property Profile of RefChem:331713
Property Insights of RefChem:331713
The XLogP value of 5.8 indicates that RefChem:331713 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:331713. Following Lipinski's Rule of Five, RefChem:331713 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:331713?
The CAS number of RefChem:331713 is 86627-73-8.
What is the molecular formula of RefChem:331713?
The molecular formula of RefChem:331713 is C18H27NO4S2.
What is the molecular weight of RefChem:331713?
The molecular weight of RefChem:331713 is 385.14 g/mol.
Where can I buy RefChem:331713?
You can request a quote for RefChem:331713 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:331713?
Yes, KEHONG BIO provides custom synthesis services for RefChem:331713 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.