RefChem:331702
TL;DR: RefChem:331702 (CAS 77248-49-8) is a chemical compound with molecular formula C16H23NO4S2 and molecular weight 357.11 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-(butylsulfanylsulfinylmethyl)carbamate
Also Known As: Carbamic acid, ((butylthio)sulfinyl)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester, ((Butylthio)sulfinyl)methylcarbamic acid 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester, (2,2-dimethyl-3H-1-benzofuran-7-yl) N-(butylsulfanylsulfinylmethyl)carbamate, S-Butyl ({[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy](hydroxy)methylidene}amino)methanesulfinothioate, RefChem:331702
| Molecular Formula | C16H23NO4S2 |
|---|---|
| Molecular Weight | 357.11 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 357.10684 |
| Heavy Atoms | 23 |
| Complexity | 430.0 |
Chemical Identifiers
| CAS Number | 77248-49-8 |
|---|---|
| SMILES | CCCCSS(=O)CNC(=O)OC1=CC=CC2=C1OC(C2)(C)C |
| InChIKey | SXBNYFDZSDKILD-UHFFFAOYSA-N |
Product Overview
RefChem:331702 (CAS 77248-49-8), with molecular formula C16H23NO4S2 and molecular weight 357.11 g/mol. IUPAC: (2,2-dimethyl-3H-1-benzofuran-7-yl) N-(butylsulfanylsulfinylmethyl)carbamate.
Chemical Property Profile of RefChem:331702
Property Insights of RefChem:331702
The XLogP value of 3.3 indicates that RefChem:331702 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:331702. Following Lipinski's Rule of Five, RefChem:331702 has 1 hydrogen bond donor(s) and 6 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:331702?
The CAS number of RefChem:331702 is 77248-49-8.
What is the molecular formula of RefChem:331702?
The molecular formula of RefChem:331702 is C16H23NO4S2.
What is the molecular weight of RefChem:331702?
The molecular weight of RefChem:331702 is 357.11 g/mol.
Where can I buy RefChem:331702?
You can request a quote for RefChem:331702 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:331702?
Yes, KEHONG BIO provides custom synthesis services for RefChem:331702 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.