RefChem:331706
TL;DR: RefChem:331706 (CAS 86627-66-9) is a chemical compound with molecular formula C18H25NO4S and molecular weight 351.15 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-(cyclohexyloxysulfanylmethyl)carbamate
Also Known As: Carbamic acid, ((cyclohexyloxy)thio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester, 2,3-Dihydro-2,2-dimethyl-7-benzofuranyl (cyclohexyloxysulfenyl)(methyl)carbamate, (2,2-dimethyl-3H-1-benzofuran-7-yl) N-(cyclohexyloxysulfanylmethyl)carbamate, 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl {[(cyclohexyloxy)sulfanyl]methyl}carbamate, RefChem:331706
| Molecular Formula | C18H25NO4S |
|---|---|
| Molecular Weight | 351.15 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 82.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 351.15042 |
| Heavy Atoms | 24 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 86627-66-9 |
|---|---|
| SMILES | CC1(CC2=C(O1)C(=CC=C2)OC(=O)NCSOC3CCCCC3)C |
| InChIKey | DAJZETYABFKFBX-UHFFFAOYSA-N |
Product Overview
RefChem:331706 (CAS 86627-66-9), with molecular formula C18H25NO4S and molecular weight 351.15 g/mol. IUPAC: (2,2-dimethyl-3H-1-benzofuran-7-yl) N-(cyclohexyloxysulfanylmethyl)carbamate.
Chemical Property Profile of RefChem:331706
Property Insights of RefChem:331706
The XLogP value of 4.5 indicates that RefChem:331706 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:331706. Following Lipinski's Rule of Five, RefChem:331706 has 1 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:331706?
The CAS number of RefChem:331706 is 86627-66-9.
What is the molecular formula of RefChem:331706?
The molecular formula of RefChem:331706 is C18H25NO4S.
What is the molecular weight of RefChem:331706?
The molecular weight of RefChem:331706 is 351.15 g/mol.
Where can I buy RefChem:331706?
You can request a quote for RefChem:331706 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:331706?
Yes, KEHONG BIO provides custom synthesis services for RefChem:331706 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.