ED-p-Ditc-xac
TL;DR: ED-p-Ditc-xac (CAS 119305-44-1) is a chemical compound with molecular formula C31H40N10O6S2 and molecular weight 712.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[4-[(2-aminoethylamino)sulfanylcarbonylamino]anilino] N-[2-[[2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetyl]amino]ethyl]carbamothioate
Also Known As: ED-p-Ditc-xac, S-[4-[(2-aminoethylamino)sulfanylcarbonylamino]anilino] N-[2-[[2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetyl]amino]ethyl]carbamothioate, 1,3-Dipropyl-8-(2-aminoethylaminothiocarbonyl-(4-aminophenyl)(aminothiocarbonyl-(2-aminoethylaminocarbonyl-(4-methoxy(phenyl)))))xanthine, 1,3-dipropyl-8-(2-aminoethylaminothiocarbonyl-(4-aminophenyl)(aminothiocarbonyl-(2-aminoethylaminoca, Acetamide, N-(2-(((((4-(((((2-aminoethyl)amino)thio)carbonyl)amino)phenyl)amino)thio)carbonyl)amino)ethyl)-2-(4-(2,3,6,7-tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)phenoxy)-
| Molecular Formula | C31H40N10O6S2 |
|---|---|
| Molecular Weight | 712.26 g/mol |
| LogP | 3.0666 |
| Topological Polar Surface Area | 219.29 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 17 |
| Exact Mass | 712.2574 |
| Heavy Atoms | 49 |
| Complexity | 1841.097 |
Chemical Identifiers
| CAS Number | 119305-44-1 |
|---|---|
| SMILES | CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)OCC(=O)NCCNC(=O)SNC4=CC=C(C=C4)NC(=O)SNCCN |
Product Overview
ED-p-Ditc-xac (CAS 119305-44-1), with molecular formula C31H40N10O6S2 and molecular weight 712.26 g/mol. IUPAC: S-[4-[(2-aminoethylamino)sulfanylcarbonylamino]anilino] N-[2-[[2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetyl]amino]ethyl]carbamothioate.
Chemical Property Profile of ED-p-Ditc-xac
Property Insights of ED-p-Ditc-xac
The XLogP value of 3.0666 indicates that ED-p-Ditc-xac is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 219.29 Ų indicates high polarity, suggesting ED-p-Ditc-xac may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ED-p-Ditc-xac has 7 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ED-p-Ditc-xac?
The CAS number of ED-p-Ditc-xac is 119305-44-1.
What is the molecular formula of ED-p-Ditc-xac?
The molecular formula of ED-p-Ditc-xac is C31H40N10O6S2.
What is the molecular weight of ED-p-Ditc-xac?
The molecular weight of ED-p-Ditc-xac is 712.26 g/mol.
Where can I buy ED-p-Ditc-xac?
You can request a quote for ED-p-Ditc-xac directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ED-p-Ditc-xac?
Yes, KEHONG BIO provides custom synthesis services for ED-p-Ditc-xac and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.