RefChem:331692
TL;DR: RefChem:331692 (CAS 50802-69-2) is a chemical compound with molecular formula C18H18FNO3S and molecular weight 347.10 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-(4-fluorophenyl)sulfanyl-N-methylcarbamate
Also Known As: Carbamic acid, ((4-fluorophenyl)thio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester, 2,3-Dihydro-2,2-dimethyl-7-benzofuranyl ((4-fluorophenyl)thio)methylcarbamate, (2,2-dimethyl-3H-1-benzofuran-7-yl) N-(4-fluorophenyl)sulfanyl-N-methylcarbamate, 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl [(4-fluorophenyl)sulfanyl](methyl)carbamate, RefChem:331692
| Molecular Formula | C18H18FNO3S |
|---|---|
| Molecular Weight | 347.10 g/mol |
| LogP | 4.6771 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.09915 |
| Heavy Atoms | 24 |
| Complexity | 761.35925 |
Chemical Identifiers
| CAS Number | 50802-69-2 |
|---|---|
| SMILES | CC1(CC2=C(O1)C(=CC=C2)OC(=O)N(C)SC3=CC=C(C=C3)F)C |
Product Overview
RefChem:331692 (CAS 50802-69-2), with molecular formula C18H18FNO3S and molecular weight 347.10 g/mol. IUPAC: (2,2-dimethyl-3H-1-benzofuran-7-yl) N-(4-fluorophenyl)sulfanyl-N-methylcarbamate.
Chemical Property Profile of RefChem:331692
Property Insights of RefChem:331692
The XLogP value of 4.6771 indicates that RefChem:331692 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.77 Ų, RefChem:331692 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:331692 has 0 hydrogen bond donor(s) and 4 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:331692?
The CAS number of RefChem:331692 is 50802-69-2.
What is the molecular formula of RefChem:331692?
The molecular formula of RefChem:331692 is C18H18FNO3S.
What is the molecular weight of RefChem:331692?
The molecular weight of RefChem:331692 is 347.10 g/mol.
Where can I buy RefChem:331692?
You can request a quote for RefChem:331692 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:331692?
Yes, KEHONG BIO provides custom synthesis services for RefChem:331692 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.