RefChem:331687
TL;DR: RefChem:331687 (CAS 50539-75-8) is a chemical compound with molecular formula C19H20BrNO3S and molecular weight 421.03 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-bromo-2-methylphenyl)sulfanylmethyl]carbamate
Also Known As: Carbamic acid, ((4-bromo-2-methylphenyl)thio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester, (2,2-Dimethyl-3H-1-benzofuran-7-yl)n-[(4-bromo-2-methylphenyl)sulfanylmethyl]carbamate, (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[(4-bromo-2-methylphenyl)sulfanylmethyl]carbamate, CARBAMIC ACID, ((4-BROMO-2-METHYLPHENYL)THIO)METHYL-, 2,3-DIHYDRO-2,2-DIMETHYL-7, 2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl {[(4-bromo-2-methylphenyl)sulfanyl]methyl}carbamate
| Molecular Formula | C19H20BrNO3S |
|---|---|
| Molecular Weight | 421.03 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 72.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 421.03473 |
| Heavy Atoms | 25 |
| Complexity | 476.0 |
Chemical Identifiers
| CAS Number | 50539-75-8 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Br)SCNC(=O)OC2=CC=CC3=C2OC(C3)(C)C |
| InChIKey | GYCLESUXOHBCRE-UHFFFAOYSA-N |
Product Overview
RefChem:331687 (CAS 50539-75-8), with molecular formula C19H20BrNO3S and molecular weight 421.03 g/mol. IUPAC: (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[(4-bromo-2-methylphenyl)sulfanylmethyl]carbamate.
Chemical Property Profile of RefChem:331687
Property Insights of RefChem:331687
The XLogP value of 5.7 indicates that RefChem:331687 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:331687. Following Lipinski's Rule of Five, RefChem:331687 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:331687?
The CAS number of RefChem:331687 is 50539-75-8.
What is the molecular formula of RefChem:331687?
The molecular formula of RefChem:331687 is C19H20BrNO3S.
What is the molecular weight of RefChem:331687?
The molecular weight of RefChem:331687 is 421.03 g/mol.
Where can I buy RefChem:331687?
You can request a quote for RefChem:331687 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:331687?
Yes, KEHONG BIO provides custom synthesis services for RefChem:331687 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.