Ditc-xac
TL;DR: Ditc-xac (CAS 119305-41-8) is a chemical compound with molecular formula C29H32N8O5S2 and molecular weight 636.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(3-isothiocyanatoanilino) N-[2-[[2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetyl]amino]ethyl]carbamothioate
Also Known As: Ditc-xac, 1,3-Dipropyl-8-(isothiocyanatophenyl(aminothiocarbonyl-(2-aminoethylaminocarbonyl-(4-methyloxy(phenyl)))))xanthine, S-(3-isothiocyanatoanilino) N-[2-[[2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetyl]amino]ethyl]carbamothioate, Acetamide, N-(2-(((((3-isothiocyanatophenyl)amino)thio)carbonyl)amino)ethyl)-2-(4-(2,3,6,7-tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)phenoxy)-, 1,3-dipropyl-8-(isothiocyanatophenyl(aminothiocarbonyl-(2-aminoethylaminocarbonyl-(4-methyloxy(pheny
| Molecular Formula | C29H32N8O5S2 |
|---|---|
| Molecular Weight | 636.19 g/mol |
| LogP | 4.0725 |
| Topological Polar Surface Area | 164.5 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 14 |
| Exact Mass | 636.1937 |
| Heavy Atoms | 44 |
| Complexity | 1792.2716 |
Chemical Identifiers
| CAS Number | 119305-41-8 |
|---|---|
| SMILES | CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)OCC(=O)NCCNC(=O)SNC4=CC(=CC=C4)N=C=S |
Product Overview
Ditc-xac (CAS 119305-41-8), with molecular formula C29H32N8O5S2 and molecular weight 636.19 g/mol. IUPAC: S-(3-isothiocyanatoanilino) N-[2-[[2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetyl]amino]ethyl]carbamothioate.
Chemical Property Profile of Ditc-xac
Property Insights of Ditc-xac
The XLogP value of 4.0725 indicates that Ditc-xac is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 164.5 Ų indicates high polarity, suggesting Ditc-xac may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ditc-xac has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ditc-xac?
The CAS number of Ditc-xac is 119305-41-8.
What is the molecular formula of Ditc-xac?
The molecular formula of Ditc-xac is C29H32N8O5S2.
What is the molecular weight of Ditc-xac?
The molecular weight of Ditc-xac is 636.19 g/mol.
Where can I buy Ditc-xac?
You can request a quote for Ditc-xac directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ditc-xac?
Yes, KEHONG BIO provides custom synthesis services for Ditc-xac and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.