RefChem:351836
TL;DR: RefChem:351836 (CAS 101809-61-4) is a chemical compound with molecular formula C20H26N2O5S and molecular weight 406.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-acetamido-2-[(4,4-dimethyl-1,3-benzothiazin-2-yl)methyl]propanedioate
Also Known As: Malonic acid, 2-acetamido-2-((4,4-dimethyl-4H-1,3-benzothiazin-2-yl)methyl)-, diethyl ester, 2-Acetamido-2-((4,4-dimethyl-4H-1,3-benzothiazin-2-yl)methyl)malonic acid diethyl ester, 1,3-diethyl 2-[(4,4-dimethyl-4H-1,3-benzothiazin-2-yl)methyl]-2-acetamidopropanedioate, 2-Acetylamino-2-[(4,4-dimethyl-4H-1,3-benzothiazin-2-yl)methyl]malonic acid diethyl ester, diethyl 2-acetamido-2-[(4,4-dimethyl-1,3-benzothiazin-2-yl)methyl]propanedioate
| Molecular Formula | C20H26N2O5S |
|---|---|
| Molecular Weight | 406.16 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 406.15625 |
| Heavy Atoms | 28 |
| Complexity | 629.0 |
Chemical Identifiers
| CAS Number | 101809-61-4 |
|---|---|
| SMILES | CCOC(=O)C(CC1=NC(C2=CC=CC=C2S1)(C)C)(C(=O)OCC)NC(=O)C |
| InChIKey | RSOUUILAPWMSFZ-UHFFFAOYSA-N |
Product Overview
RefChem:351836 (CAS 101809-61-4), with molecular formula C20H26N2O5S and molecular weight 406.16 g/mol. IUPAC: diethyl 2-acetamido-2-[(4,4-dimethyl-1,3-benzothiazin-2-yl)methyl]propanedioate.
Chemical Property Profile of RefChem:351836
Property Insights of RefChem:351836
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:351836. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:351836. Following Lipinski's Rule of Five, RefChem:351836 has 1 hydrogen bond donor(s) and 7 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 RefChem:351836?
The CAS number of RefChem:351836 is 101809-61-4.
What is the molecular formula of RefChem:351836?
The molecular formula of RefChem:351836 is C20H26N2O5S.
What is the molecular weight of RefChem:351836?
The molecular weight of RefChem:351836 is 406.16 g/mol.
Where can I buy RefChem:351836?
You can request a quote for RefChem:351836 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:351836?
Yes, KEHONG BIO provides custom synthesis services for RefChem:351836 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.