RefChem:332500
TL;DR: RefChem:332500 (CAS 86627-81-8) is a chemical compound with molecular formula C30H51NO4S and molecular weight 521.35 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-octadecoxysulfanylcarbamate
Also Known As: Carbamic acid, methyl((octadecyloxy)thio)-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester, 2,3-Dihydro-2,2-dimethyl-7-benzofuranyl (methyl)(octadecyloxysulfenyl)carbamate, (2,2-dimethyl-3H-1-benzofuran-7-yl) N-methyl-N-octadecoxysulfanylcarbamate, 2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methyl[(octadecyloxy)sulfanyl]carbamate, RefChem:332500
| Molecular Formula | C30H51NO4S |
|---|---|
| Molecular Weight | 521.35 g/mol |
| LogP | 11.9 |
| Topological Polar Surface Area | 73.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 21 |
| Exact Mass | 521.3539 |
| Heavy Atoms | 36 |
| Complexity | 573.0 |
Chemical Identifiers
| CAS Number | 86627-81-8 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCOSN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C |
| InChIKey | NLISLONXYFAEMK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:332500 (CAS 86627-81-8), with molecular formula C30H51NO4S and molecular weight 521.35 g/mol. IUPAC: (2,2-dimethyl-3H-1-benzofuran-7-yl) N-methyl-N-octadecoxysulfanylcarbamate.
Chemical Property Profile of RefChem:332500
Property Insights of RefChem:332500
The XLogP value of 11.9 indicates that RefChem:332500 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:332500. Following Lipinski's Rule of Five, RefChem:332500 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:332500?
The CAS number of RefChem:332500 is 86627-81-8.
What is the molecular formula of RefChem:332500?
The molecular formula of RefChem:332500 is C30H51NO4S.
What is the molecular weight of RefChem:332500?
The molecular weight of RefChem:332500 is 521.35 g/mol.
Where can I buy RefChem:332500?
You can request a quote for RefChem:332500 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:332500?
Yes, KEHONG BIO provides custom synthesis services for RefChem:332500 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.