禾草丹亚砜
TL;DR: 禾草丹亚砜 (CAS 51954-76-8) is a chemical compound with molecular formula C12H16ClNO2S and molecular weight 273.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
禾草丹亚砜
1-[(4-chlorophenyl)methylsulfinyl]-N,N-diethylformamide
Also Known As: Benthiocarb sulfoxide, Thiobencarb sulfoxide, 1-(((4-Chlorophenyl)methyl)sulfinyl)-N,N-diethylformamide, Formamide, 1-(((4-chlorophenyl)methyl)sulfinyl)-N,N-diethyl-, [(4-Chlorophenyl)methanesulfinyl](diethylamino)methanone
| Molecular Formula | C12H16ClNO2S |
|---|---|
| Molecular Weight | 273.06 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 56.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 273.05902 |
| Heavy Atoms | 17 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 51954-76-8 |
|---|---|
| SMILES | CCN(CC)C(=O)S(=O)CC1=CC=C(C=C1)Cl |
| InChIKey | VPMMJNZMBQSPCK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
禾草丹亚砜 (CAS 51954-76-8), with molecular formula C12H16ClNO2S and molecular weight 273.06 g/mol. IUPAC: 1-[(4-chlorophenyl)methylsulfinyl]-N,N-diethylformamide.
Chemical Property Profile of 禾草丹亚砜
Property Insights of 禾草丹亚砜
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 禾草丹亚砜. With a topological polar surface area (TPSA) of 56.6 Ų, 禾草丹亚砜 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 禾草丹亚砜 has 0 hydrogen bond donor(s) and 3 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 禾草丹亚砜?
The CAS number of 禾草丹亚砜 is 51954-76-8.
What is the molecular formula of 禾草丹亚砜?
The molecular formula of 禾草丹亚砜 is C12H16ClNO2S.
What is the molecular weight of 禾草丹亚砜?
The molecular weight of 禾草丹亚砜 is 273.06 g/mol.
Where can I buy 禾草丹亚砜?
You can request a quote for 禾草丹亚砜 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 禾草丹亚砜?
Yes, KEHONG BIO provides custom synthesis services for 禾草丹亚砜 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.