N-(1,1-dioxothiolan-3-yl)-4-methoxybenzamide
TL;DR: N-(1,1-dioxothiolan-3-yl)-4-methoxybenzamide (CAS 688002-41-7) is a chemical compound with molecular formula C12H15NO4S and molecular weight 269.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,1-dioxothiolan-3-yl)-4-methoxybenzamide
Also Known As: Maybridge3_002013, N-(1,1-dioxo-1, IDI1_013400, N-(1,1-dioxothiolan-3-yl)-4-methoxybenzamide, VU0507354-1
| Molecular Formula | C12H15NO4S |
|---|---|
| Molecular Weight | 269.07 g/mol |
| LogP | 0.6121 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.07217 |
| Heavy Atoms | 18 |
| Complexity | 535.70074 |
Chemical Identifiers
| CAS Number | 688002-41-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)NC2CCS(=O)(=O)C2 |
Product Overview
N-(1,1-dioxothiolan-3-yl)-4-methoxybenzamide (CAS 688002-41-7), with molecular formula C12H15NO4S and molecular weight 269.07 g/mol. IUPAC: N-(1,1-dioxothiolan-3-yl)-4-methoxybenzamide.
Chemical Property Profile of N-(1,1-dioxothiolan-3-yl)-4-methoxybenzamide
Property Insights of N-(1,1-dioxothiolan-3-yl)-4-methoxybenzamide
The XLogP value of 0.6121 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,1-dioxothiolan-3-yl)-4-methoxybenzamide. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,1-dioxothiolan-3-yl)-4-methoxybenzamide. Following Lipinski's Rule of Five, N-(1,1-dioxothiolan-3-yl)-4-methoxybenzamide has 1 hydrogen bond donor(s) and 4 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 N-(1,1-dioxothiolan-3-yl)-4-methoxybenzamide?
The CAS number of N-(1,1-dioxothiolan-3-yl)-4-methoxybenzamide is 688002-41-7.
What is the molecular formula of N-(1,1-dioxothiolan-3-yl)-4-methoxybenzamide?
The molecular formula of N-(1,1-dioxothiolan-3-yl)-4-methoxybenzamide is C12H15NO4S.
What is the molecular weight of N-(1,1-dioxothiolan-3-yl)-4-methoxybenzamide?
The molecular weight of N-(1,1-dioxothiolan-3-yl)-4-methoxybenzamide is 269.07 g/mol.
Where can I buy N-(1,1-dioxothiolan-3-yl)-4-methoxybenzamide?
You can request a quote for N-(1,1-dioxothiolan-3-yl)-4-methoxybenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,1-dioxothiolan-3-yl)-4-methoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,1-dioxothiolan-3-yl)-4-methoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.