RefChem:331690
TL;DR: RefChem:331690 (CAS 50539-73-6) is a chemical compound with molecular formula C18H18ClNO3S and molecular weight 363.06958 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-[(4-chlorophenyl)sulfanylmethyl]carbamate
Also Known As: Carbamic acid, ((4-chlorophenyl)thio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester, 2,3-Dihydro-2,2-dimethyl-7-benzofuranyl N-methyl-N-p-chlorophenylthiocarbamate, ((4-Chlorophenyl)thio)methylcarbamic acid 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester, (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[(4-chlorophenyl)sulfanylmethyl]carbamate, 2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl {[(4-chlorophenyl)sulfanyl]methyl}carbamate
Technical Specifications
| Molecular Formula | C18H18ClNO3S |
| Molecular Weight | 363.06958 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 72.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 363.06958 Da |
| Heavy Atoms | 24 |
| Complexity | 440.0 |
| SMILES | CC1(CC2=C(O1)C(=CC=C2)OC(=O)NCSC3=CC=C(C=C3)Cl)C |
| InChIKey | FAXWCORADQOCMU-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:331690
Property Insights of RefChem:331690
The XLogP value of 5.3 indicates that RefChem:331690 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:331690. Following Lipinski's Rule of Five, RefChem:331690 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:331690?
The CAS number of RefChem:331690 is 50539-73-6.
What is the molecular formula of RefChem:331690?
The molecular formula of RefChem:331690 is C18H18ClNO3S.
What is the molecular weight of RefChem:331690?
The molecular weight of RefChem:331690 is 363.06958 g/mol.
Where can I buy RefChem:331690?
You can request a quote for RefChem:331690 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:331690?
Yes, CoreyChem provides custom synthesis services for RefChem:331690 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.