RefChem:331672
TL;DR: RefChem:331672 (CAS 50539-69-0) is a chemical compound with molecular formula C20H23NO3S and molecular weight 357.14 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-[(2,4-dimethylphenyl)sulfanylmethyl]carbamate
Also Known As: Carbamic acid, ((2,4-dimethylphenyl)thio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester, ((2,4-Xylyl)thio)methylcarbamic acid 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester, ((2,4-Dimethylphenyl)thio)methylcarbamic acid, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester, 7-(Naphthyl-(1)-azo)-8-hydroxy-chinolin-sulfonsaeure-(5), (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[(2,4-dimethylphenyl)sulfanylmethyl]carbamate
| Molecular Formula | C20H23NO3S |
|---|---|
| Molecular Weight | 357.14 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 72.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 357.13986 |
| Heavy Atoms | 25 |
| Complexity | 470.0 |
Chemical Identifiers
| CAS Number | 50539-69-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)SCNC(=O)OC2=CC=CC3=C2OC(C3)(C)C)C |
| InChIKey | LAXDTMJGIUNKFN-UHFFFAOYSA-N |
Product Overview
RefChem:331672 (CAS 50539-69-0), with molecular formula C20H23NO3S and molecular weight 357.14 g/mol. IUPAC: (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[(2,4-dimethylphenyl)sulfanylmethyl]carbamate.
Chemical Property Profile of RefChem:331672
Property Insights of RefChem:331672
The XLogP value of 5.4 indicates that RefChem:331672 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:331672. Following Lipinski's Rule of Five, RefChem:331672 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:331672?
The CAS number of RefChem:331672 is 50539-69-0.
What is the molecular formula of RefChem:331672?
The molecular formula of RefChem:331672 is C20H23NO3S.
What is the molecular weight of RefChem:331672?
The molecular weight of RefChem:331672 is 357.14 g/mol.
Where can I buy RefChem:331672?
You can request a quote for RefChem:331672 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:331672?
Yes, KEHONG BIO provides custom synthesis services for RefChem:331672 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.