RefChem:331721
TL;DR: RefChem:331721 (CAS 50539-74-7) is a chemical compound with molecular formula C18H18BrNO3S and molecular weight 407.02 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-bromophenyl)sulfanylmethyl]carbamate
Also Known As: Carbamic acid, ((p-bromophenyl)thio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester, 2,2-Dimethyl-2,3-dihydrobenzofuran-7-yl N-(4-bromophenylthio)-N-methylcarbamate, (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[(4-bromophenyl)sulfanylmethyl]carbamate, 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl {[(4-bromophenyl)sulfanyl]methyl}carbamate, 2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl N-{[(4-bromophenyl)sulfanyl]methyl}carbamate
| Molecular Formula | C18H18BrNO3S |
|---|---|
| Molecular Weight | 407.02 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 72.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 407.01907 |
| Heavy Atoms | 24 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 50539-74-7 |
|---|---|
| SMILES | CC1(CC2=C(O1)C(=CC=C2)OC(=O)NCSC3=CC=C(C=C3)Br)C |
| InChIKey | FXICJKYHVGBPND-UHFFFAOYSA-N |
Product Overview
RefChem:331721 (CAS 50539-74-7), with molecular formula C18H18BrNO3S and molecular weight 407.02 g/mol. IUPAC: (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[(4-bromophenyl)sulfanylmethyl]carbamate.
Chemical Property Profile of RefChem:331721
Property Insights of RefChem:331721
The XLogP value of 5.3 indicates that RefChem:331721 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:331721. Following Lipinski's Rule of Five, RefChem:331721 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:331721?
The CAS number of RefChem:331721 is 50539-74-7.
What is the molecular formula of RefChem:331721?
The molecular formula of RefChem:331721 is C18H18BrNO3S.
What is the molecular weight of RefChem:331721?
The molecular weight of RefChem:331721 is 407.02 g/mol.
Where can I buy RefChem:331721?
You can request a quote for RefChem:331721 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:331721?
Yes, KEHONG BIO provides custom synthesis services for RefChem:331721 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.