C23H23N5OS2
TL;DR: C23H23N5OS2 (CAS 586994-54-9) is a chemical compound with molecular formula C23H23N5OS2 and molecular weight 449.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6Z)-2-benzylsulfanyl-6-[[4-(diethylamino)phenyl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (6Z)-2-(benzylsulfanyl)-6-[4-(diethylamino)benzylidene]-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (6Z)-2-benzylsulfanyl-6-[[4-(diethylamino)phenyl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (Z)-2-(benzylthio)-6-(4-(diethylamino)benzylidene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
| Molecular Formula | C23H23N5OS2 |
|---|---|
| Molecular Weight | 449.13 g/mol |
| LogP | 5.04287 |
| Topological Polar Surface Area | 72.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 449.1344 |
| Heavy Atoms | 31 |
| Complexity | 1072.9055 |
Chemical Identifiers
| CAS Number | 586994-54-9 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)/C=C\2/C(=N)N3C(=NC2=O)SC(=N3)SCC4=CC=CC=C4 |
Product Overview
C23H23N5OS2 (CAS 586994-54-9), with molecular formula C23H23N5OS2 and molecular weight 449.13 g/mol. IUPAC: (6Z)-2-benzylsulfanyl-6-[[4-(diethylamino)phenyl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of C23H23N5OS2
Property Insights of C23H23N5OS2
The XLogP value of 5.04287 indicates that C23H23N5OS2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.12 Ų falls within the moderate polarity range, balancing permeability and solubility for C23H23N5OS2. Following Lipinski's Rule of Five, C23H23N5OS2 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C23H23N5OS2?
The CAS number of C23H23N5OS2 is 586994-54-9.
What is the molecular formula of C23H23N5OS2?
The molecular formula of C23H23N5OS2 is C23H23N5OS2.
What is the molecular weight of C23H23N5OS2?
The molecular weight of C23H23N5OS2 is 449.13 g/mol.
Where can I buy C23H23N5OS2?
You can request a quote for C23H23N5OS2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C23H23N5OS2?
Yes, KEHONG BIO provides custom synthesis services for C23H23N5OS2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.