starbld0044994
TL;DR: starbld0044994 (CAS 174849-92-4) is a chemical compound with molecular formula C20H21N3O2S2 and molecular weight 399.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3Z,6Z)-3-benzylidene-6-[[5-[2-(dimethylamino)ethylsulfanyl]thiophen-2-yl]methylidene]piperazine-2,5-dione
Also Known As: starbld0044994, XR 5118, J1.607.077G, (Z)-3-((Z)-Benzylidene)-6-((5-((2-(dimethylamino)ethyl)thio)thiophen-2-yl)methylene)piperazine-2,5-dione, 3-Benzylidene-6-[5-[2-(dimethylamino)ethylthio]-2-thienylmethylene]piperazine-2,5-dione
| Molecular Formula | C20H21N3O2S2 |
|---|---|
| Molecular Weight | 399.11 g/mol |
| LogP | 1.436 |
| Topological Polar Surface Area | 68.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 399.1075 |
| Heavy Atoms | 27 |
| Complexity | 1128.2689 |
Chemical Identifiers
| CAS Number | 174849-92-4 |
|---|---|
| SMILES | CN(C)CCSC1=CC=C(S1)/C=C\2/C(=O)N/C(=C\C3=CC=CC=C3)/C(=O)N2 |
Product Overview
starbld0044994 (CAS 174849-92-4), with molecular formula C20H21N3O2S2 and molecular weight 399.11 g/mol. IUPAC: (3Z,6Z)-3-benzylidene-6-[[5-[2-(dimethylamino)ethylsulfanyl]thiophen-2-yl]methylidene]piperazine-2,5-dione.
Chemical Property Profile of starbld0044994
Property Insights of starbld0044994
The XLogP value of 1.436 suggests moderate lipophilicity, balancing water solubility and membrane permeability for starbld0044994. The TPSA of 68.96 Ų falls within the moderate polarity range, balancing permeability and solubility for starbld0044994. Following Lipinski's Rule of Five, starbld0044994 has 2 hydrogen bond donor(s) and 5 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 starbld0044994?
The CAS number of starbld0044994 is 174849-92-4.
What is the molecular formula of starbld0044994?
The molecular formula of starbld0044994 is C20H21N3O2S2.
What is the molecular weight of starbld0044994?
The molecular weight of starbld0044994 is 399.11 g/mol.
Where can I buy starbld0044994?
You can request a quote for starbld0044994 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for starbld0044994?
Yes, KEHONG BIO provides custom synthesis services for starbld0044994 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.