美夫西特内酯
TL;DR: 美夫西特内酯 (CAS 17326-09-9) is a chemical compound with molecular formula C13H17ClN2O6S2 and molecular weight 396.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
美夫西特内酯
4-chloro-1-N-methyl-1-N-[(2-methyl-5-oxooxolan-2-yl)methyl]benzene-1,3-disulfonamide
Also Known As: Mefruside lactone, 5-Oxomefruside, 5-Oxo-mefruside, 4-chloro-1-N-methyl-1-N-[(2-methyl-5-oxooxolan-2-yl)methyl]benzene-1,3-disulfonamide, 4-chloro-n1-methyl-n1-[(2-methyl-5-oxotetrahydrofuran-2-yl)methyl]benzene-1,3-disulfonamide
| Molecular Formula | C13H17ClN2O6S2 |
|---|---|
| Molecular Weight | 396.02 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.02167 |
| Heavy Atoms | 24 |
| Complexity | 699.0 |
Chemical Identifiers
| CAS Number | 17326-09-9 |
|---|---|
| SMILES | CC1(CCC(=O)O1)CN(C)S(=O)(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N |
| InChIKey | UBRIMIXGZCAQOY-UHFFFAOYSA-N |
Product Overview
美夫西特内酯 (CAS 17326-09-9), with molecular formula C13H17ClN2O6S2 and molecular weight 396.02 g/mol. IUPAC: 4-chloro-1-N-methyl-1-N-[(2-methyl-5-oxooxolan-2-yl)methyl]benzene-1,3-disulfonamide.
Chemical Property Profile of 美夫西特内酯
Property Insights of 美夫西特内酯
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 美夫西特内酯. The TPSA of 141.0 Ų indicates high polarity, suggesting 美夫西特内酯 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 美夫西特内酯 has 1 hydrogen bond donor(s) and 8 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 美夫西特内酯?
The CAS number of 美夫西特内酯 is 17326-09-9.
What is the molecular formula of 美夫西特内酯?
The molecular formula of 美夫西特内酯 is C13H17ClN2O6S2.
What is the molecular weight of 美夫西特内酯?
The molecular weight of 美夫西特内酯 is 396.02 g/mol.
Where can I buy 美夫西特内酯?
You can request a quote for 美夫西特内酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 美夫西特内酯?
Yes, KEHONG BIO provides custom synthesis services for 美夫西特内酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.