RefChem:332482
TL;DR: RefChem:332482 (CAS 50539-72-5) is a chemical compound with molecular formula C21H25NO3S and molecular weight 371.16 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-(2-propan-2-ylphenyl)sulfanylcarbamate
Also Known As: Carbamic acid, methyl((2-(1-methylethyl)phenyl)thio)-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester, ((2-Isopropylphenyl)thio)methylcarbamic acid 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester, (2,2-Dimethyl-3H-1-benzofuran-7-yl)n-methyl-N-(2-propan-2-ylphenyl)sulfanylcarbamate, (2,2-dimethyl-3H-1-benzofuran-7-yl) N-methyl-N-(2-propan-2-ylphenyl)sulfanylcarbamate, CARBAMIC ACID, METHYL((2-(1-METHYLETHYL)PHENYL)THIO)-, 2,3-DIHYDRO-2,2-DIMETHYL-
| Molecular Formula | C21H25NO3S |
|---|---|
| Molecular Weight | 371.16 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 64.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 371.15552 |
| Heavy Atoms | 26 |
| Complexity | 496.0 |
Chemical Identifiers
| CAS Number | 50539-72-5 |
|---|---|
| SMILES | CC(C)C1=CC=CC=C1SN(C)C(=O)OC2=CC=CC3=C2OC(C3)(C)C |
| InChIKey | AEMRNFFLKCWSDL-UHFFFAOYSA-N |
Product Overview
RefChem:332482 (CAS 50539-72-5), with molecular formula C21H25NO3S and molecular weight 371.16 g/mol. IUPAC: (2,2-dimethyl-3H-1-benzofuran-7-yl) N-methyl-N-(2-propan-2-ylphenyl)sulfanylcarbamate.
Chemical Property Profile of RefChem:332482
Property Insights of RefChem:332482
The XLogP value of 5.7 indicates that RefChem:332482 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:332482. Following Lipinski's Rule of Five, RefChem:332482 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:332482?
The CAS number of RefChem:332482 is 50539-72-5.
What is the molecular formula of RefChem:332482?
The molecular formula of RefChem:332482 is C21H25NO3S.
What is the molecular weight of RefChem:332482?
The molecular weight of RefChem:332482 is 371.16 g/mol.
Where can I buy RefChem:332482?
You can request a quote for RefChem:332482 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:332482?
Yes, KEHONG BIO provides custom synthesis services for RefChem:332482 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.