RefChem:332503
TL;DR: RefChem:332503 (CAS 86627-67-0) is a chemical compound with molecular formula C19H21NO4S and molecular weight 359.12 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-phenylmethoxysulfanylcarbamate
Also Known As: Carbamic acid, methyl((phenylmethoxy)thio)-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester, 2,3-Dihydro-2,2-dimethyl-7-benzofuranyl (benzyloxysulfenyl)(methyl)carbamate, (2,2-dimethyl-3H-1-benzofuran-7-yl) N-methyl-N-phenylmethoxysulfanylcarbamate, 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl [(benzyloxy)sulfanyl](methyl)carbamate, RefChem:332503
| Molecular Formula | C19H21NO4S |
|---|---|
| Molecular Weight | 359.12 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 73.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 359.11914 |
| Heavy Atoms | 25 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 86627-67-0 |
|---|---|
| SMILES | CC1(CC2=C(O1)C(=CC=C2)OC(=O)N(C)SOCC3=CC=CC=C3)C |
| InChIKey | IGVYVFOFIVALEE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:332503 (CAS 86627-67-0), with molecular formula C19H21NO4S and molecular weight 359.12 g/mol. IUPAC: (2,2-dimethyl-3H-1-benzofuran-7-yl) N-methyl-N-phenylmethoxysulfanylcarbamate.
Chemical Property Profile of RefChem:332503
Property Insights of RefChem:332503
The XLogP value of 4.5 indicates that RefChem:332503 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:332503. Following Lipinski's Rule of Five, RefChem:332503 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:332503?
The CAS number of RefChem:332503 is 86627-67-0.
What is the molecular formula of RefChem:332503?
The molecular formula of RefChem:332503 is C19H21NO4S.
What is the molecular weight of RefChem:332503?
The molecular weight of RefChem:332503 is 359.12 g/mol.
Where can I buy RefChem:332503?
You can request a quote for RefChem:332503 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:332503?
Yes, KEHONG BIO provides custom synthesis services for RefChem:332503 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.