ChemDiv1_019610
TL;DR: ChemDiv1_019610 (CAS 5628-63-7) is a chemical compound with molecular formula C21H29NO10S2 and molecular weight 519.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-(4-methoxyphenyl)-2-(2-morpholin-4-ylethyl)-1,1,3,3-tetraoxo-1,3-dithiane-4,6-dicarboxylate
Also Known As: ChemDiv1_019610, dimethyl 5-(4-methoxyphenyl)-2-(2-morpholin-4-ylethyl)-1,1,3,3-tetraoxo-1,3-dithiane-4,6-dicarboxylate, Dimethyl 5-(4-methoxyphenyl)-2-[2-(morpholin-4-yl)ethyl]-1,1,3,3-tetraoxo-1lambda~6~,3lambda~6~-dithiane-4,6-dicarboxylate
| Molecular Formula | C21H29NO10S2 |
|---|---|
| Molecular Weight | 519.12 g/mol |
| LogP | -0.2464 |
| Topological Polar Surface Area | 142.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 519.1233 |
| Heavy Atoms | 34 |
| Complexity | 1040.8682 |
Chemical Identifiers
| CAS Number | 5628-63-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2C(S(=O)(=O)C(S(=O)(=O)C2C(=O)OC)CCN3CCOCC3)C(=O)OC |
Product Overview
ChemDiv1_019610 (CAS 5628-63-7), with molecular formula C21H29NO10S2 and molecular weight 519.12 g/mol. IUPAC: dimethyl 5-(4-methoxyphenyl)-2-(2-morpholin-4-ylethyl)-1,1,3,3-tetraoxo-1,3-dithiane-4,6-dicarboxylate.
Chemical Property Profile of ChemDiv1_019610
Property Insights of ChemDiv1_019610
The XLogP value of -0.2464 indicates that ChemDiv1_019610 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 142.58 Ų indicates high polarity, suggesting ChemDiv1_019610 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ChemDiv1_019610 has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_019610?
The CAS number of ChemDiv1_019610 is 5628-63-7.
What is the molecular formula of ChemDiv1_019610?
The molecular formula of ChemDiv1_019610 is C21H29NO10S2.
What is the molecular weight of ChemDiv1_019610?
The molecular weight of ChemDiv1_019610 is 519.12 g/mol.
Where can I buy ChemDiv1_019610?
You can request a quote for ChemDiv1_019610 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_019610?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_019610 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.