RefChem:245623
TL;DR: RefChem:245623 (CAS 27969-53-5) is a chemical compound with molecular formula C26H29N3O5S and molecular weight 495.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[1-(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(1H)-ylidene)-1-methylethylidene]-1,3-bis(2-methoxyethyl)-, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-(1-ethylnaphtho(1,2-d)thiazol-2(1H)-ylidene)-1-methylethylidene)-1,3-bis(2-methoxyethyl)-, 5-[2-(1-ethylnaphtho[1,2-d]thiazol-2(1H)-ylidene)-1-methylethylidene]-1,3-bis(2-methoxyethyl)barbituric acid, Barbituric acid, 5-[2-(1-ethylnaphtho[1,2-d]thiazolin-2-ylidene)-1-methylethylidene]-1,3-bis(2-methoxyethyl)-, EINECS 248-751-5
| Molecular Formula | C26H29N3O5S |
|---|---|
| Molecular Weight | 495.18 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 495.1828 |
| Heavy Atoms | 35 |
| Complexity | 871.0 |
Chemical Identifiers
| CAS Number | 27969-53-5 |
|---|---|
| SMILES | CCN1C(=CC(=C2C(=O)N(C(=O)N(C2=O)CCOC)CCOC)C)SC3=C1C4=CC=CC=C4C=C3 |
| InChIKey | HLWYHLPFIFQUDD-UHFFFAOYSA-N |
Product Overview
RefChem:245623 (CAS 27969-53-5), with molecular formula C26H29N3O5S and molecular weight 495.18 g/mol. IUPAC: 5-[1-(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 RefChem:245623
Property Insights of RefChem:245623
The XLogP value of 4.1 indicates that RefChem:245623 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:245623. Following Lipinski's Rule of Five, RefChem:245623 has 0 hydrogen bond donor(s) and 7 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 RefChem:245623?
The CAS number of RefChem:245623 is 27969-53-5.
What is the molecular formula of RefChem:245623?
The molecular formula of RefChem:245623 is C26H29N3O5S.
What is the molecular weight of RefChem:245623?
The molecular weight of RefChem:245623 is 495.18 g/mol.
Where can I buy RefChem:245623?
You can request a quote for RefChem:245623 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:245623?
Yes, KEHONG BIO provides custom synthesis services for RefChem:245623 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.