RefChem:331656
TL;DR: RefChem:331656 (CAS 86627-76-1) is a chemical compound with molecular formula C16H23NO4S and molecular weight 325.13 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-[(2-methylpropan-2-yl)oxysulfanylmethyl]carbamate
Also Known As: Carbamic acid, ((1,1-dimethylethoxy)thio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester, 2,3-Dihydro-2,2-dimethyl-7-benzofuranyl (tert-butoxysulfenyl)(methyl)carbamate, (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[(2-methylpropan-2-yl)oxysulfanylmethyl]carbamate, 2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl [(tert-butoxysulfanyl)methyl]carbamate, RefChem:331656
| Molecular Formula | C16H23NO4S |
|---|---|
| Molecular Weight | 325.13 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 82.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 325.13477 |
| Heavy Atoms | 22 |
| Complexity | 394.0 |
Chemical Identifiers
| CAS Number | 86627-76-1 |
|---|---|
| SMILES | CC1(CC2=C(O1)C(=CC=C2)OC(=O)NCSOC(C)(C)C)C |
| InChIKey | USOVBGDZDAHVDS-UHFFFAOYSA-N |
Product Overview
RefChem:331656 (CAS 86627-76-1), with molecular formula C16H23NO4S and molecular weight 325.13 g/mol. IUPAC: (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[(2-methylpropan-2-yl)oxysulfanylmethyl]carbamate.
Chemical Property Profile of RefChem:331656
Property Insights of RefChem:331656
The XLogP value of 3.7 indicates that RefChem:331656 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:331656. Following Lipinski's Rule of Five, RefChem:331656 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:331656?
The CAS number of RefChem:331656 is 86627-76-1.
What is the molecular formula of RefChem:331656?
The molecular formula of RefChem:331656 is C16H23NO4S.
What is the molecular weight of RefChem:331656?
The molecular weight of RefChem:331656 is 325.13 g/mol.
Where can I buy RefChem:331656?
You can request a quote for RefChem:331656 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:331656?
Yes, KEHONG BIO provides custom synthesis services for RefChem:331656 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.