CTK4G1145
TL;DR: CTK4G1145 (CAS 28279-27-8) is a chemical compound with molecular formula C39H38N4O5S2 and molecular weight 706.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[1,3-bis(1-ethylbenzo[e][1,3]benzothiazol-2-ylidene)propan-2-ylidene]-1,3-bis(2-methoxyethyl)-1,3-diazinane-2,4,6-trione
Also Known As: 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[2-(1-ethylnaphtho[1,2-d]thiazol-2(3H)-ylidene)-1-[(1-ethylnaphtho[1,2-d]thiazol-2(3H)-ylidene)methyl]ethylidene]-1,3-bis(2-methoxyethyl)-, 2,4,6(1H,3H,5H)-Pyrimidinetrione,5-[2-(1-ethylnaphtho[1,2-d]thiazol-2(1H)-ylidene)-1-[(1-ethylnaphtho[1,2-d]thiazol-2(1H)-ylidene)methyl]ethylidene]-1,3-bis(2-methoxyethyl)-, 5-(2-(1-Ethylnaphtho(1,2-d)thiazol-2(3H)-ylidene)-1-((1-ethylnaphtho(1,2-d)thiazol-2(3H)-ylidene)methyl)ethylidene)-1,3-bis(2-methoxyethyl)barbituric, 5-[1,3-Bis(1-ethylnaphtho[1,2-d][1,3]thiazol-2(1H)-ylidene)propan-2-ylidene]-1,3-bis(2-methoxyethyl)-1,3-diazinane-2,4,6-trione, 5-[2-(1-ethylnaphtho[1,2-d]thiazol-2(3H)-ylidene)-1-[(1-ethylnaphtho[1,2-d]thiazol-2(3H)-ylidene)methyl]ethylidene]-1,3-bis(2-methoxyethyl)barbituric acid
| Molecular Formula | C39H38N4O5S2 |
|---|---|
| Molecular Weight | 706.23 g/mol |
| LogP | 7.8 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 706.22833 |
| Heavy Atoms | 50 |
| Complexity | 1300.0 |
Chemical Identifiers
| CAS Number | 28279-27-8 |
|---|---|
| SMILES | CCN1C(=CC(=C2C(=O)N(C(=O)N(C2=O)CCOC)CCOC)C=C3N(C4=C(S3)C=CC5=CC=CC=C54)CC)SC6=C1C7=CC=CC=C7C=C6 |
| InChIKey | RHJUONUPJMTLGP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
CTK4G1145 (CAS 28279-27-8), with molecular formula C39H38N4O5S2 and molecular weight 706.23 g/mol. IUPAC: 5-[1,3-bis(1-ethylbenzo[e][1,3]benzothiazol-2-ylidene)propan-2-ylidene]-1,3-bis(2-methoxyethyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of CTK4G1145
Property Insights of CTK4G1145
The XLogP value of 7.8 indicates that CTK4G1145 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK4G1145. Following Lipinski's Rule of Five, CTK4G1145 has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK4G1145?
The CAS number of CTK4G1145 is 28279-27-8.
What is the molecular formula of CTK4G1145?
The molecular formula of CTK4G1145 is C39H38N4O5S2.
What is the molecular weight of CTK4G1145?
The molecular weight of CTK4G1145 is 706.23 g/mol.
Where can I buy CTK4G1145?
You can request a quote for CTK4G1145 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK4G1145?
Yes, KEHONG BIO provides custom synthesis services for CTK4G1145 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.