RefChem:332502
TL;DR: RefChem:332502 (CAS 50539-76-9) is a chemical compound with molecular formula C18H14Cl5NO3S and molecular weight 498.91 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-methyl-N-(2,3,4,5,6-pentachlorophenyl)sulfanylcarbamate
Also Known As: Carbamic acid, methyl((pentachlorophenyl)thio)-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester, Methyl((pentachlorophenyl)thio)carbamic acid 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester, (2,2-Dimethyl-3H-1-benzofuran-7-yl)n-methyl-N-(2,3,4,5,6-pentachlorophenyl)sulfanylcarbamate, 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl methyl[(pentachlorophenyl)sulfanyl]carbamate, (2,2-dimethyl-3H-1-benzofuran-7-yl) N-methyl-N-(2,3,4,5,6-pentachlorophenyl)sulfanylcarbamate
| Molecular Formula | C18H14Cl5NO3S |
|---|---|
| Molecular Weight | 498.91 g/mol |
| LogP | 7.7 |
| Topological Polar Surface Area | 64.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 500.91077 |
| Heavy Atoms | 28 |
| Complexity | 569.0 |
Chemical Identifiers
| CAS Number | 50539-76-9 |
|---|---|
| SMILES | CC1(CC2=C(O1)C(=CC=C2)OC(=O)N(C)SC3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)Cl)C |
| InChIKey | IOTVNIPKZLCUNI-UHFFFAOYSA-N |
Product Overview
RefChem:332502 (CAS 50539-76-9), with molecular formula C18H14Cl5NO3S and molecular weight 498.91 g/mol. IUPAC: (2,2-dimethyl-3H-1-benzofuran-7-yl) N-methyl-N-(2,3,4,5,6-pentachlorophenyl)sulfanylcarbamate.
Chemical Property Profile of RefChem:332502
Property Insights of RefChem:332502
The XLogP value of 7.7 indicates that RefChem:332502 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:332502. Following Lipinski's Rule of Five, RefChem:332502 has 0 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:332502?
The CAS number of RefChem:332502 is 50539-76-9.
What is the molecular formula of RefChem:332502?
The molecular formula of RefChem:332502 is C18H14Cl5NO3S.
What is the molecular weight of RefChem:332502?
The molecular weight of RefChem:332502 is 498.91 g/mol.
Where can I buy RefChem:332502?
You can request a quote for RefChem:332502 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:332502?
Yes, KEHONG BIO provides custom synthesis services for RefChem:332502 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.