CTK5E7176
TL;DR: CTK5E7176 (CAS 79838-91-8) is a chemical compound with molecular formula C27H23ClN2O3S and molecular weight 490.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-chlorophenyl)methylidene]-1-(3-methoxyphenyl)-2-sulfanylidene-3-(2,4,6-trimethylphenyl)-1,3-diazinane-4,6-dione
Also Known As: 4,6(1H,5H)-Pyrimidinedione, dihydro-5-((4-chlorophenyl)methylene)-1-(3-methoxyphenyl)-2-thioxo-3-(2,4,6-trimethylphenyl)-, 4,6(1H,5H)-Pyrimidinedione,5-[(4-chlorophenyl)methylene]dihydro-1-(3-methoxyphenyl)-2-thioxo-3-(2,4,6-trimethylphenyl)-
| Molecular Formula | C27H23ClN2O3S |
|---|---|
| Molecular Weight | 490.11 g/mol |
| LogP | 6.02216 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 490.1118 |
| Heavy Atoms | 34 |
| Complexity | 1325.2312 |
Chemical Identifiers
| CAS Number | 79838-91-8 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)N2C(=O)C(=CC3=CC=C(C=C3)Cl)C(=O)N(C2=S)C4=CC(=CC=C4)OC)C |
Product Overview
CTK5E7176 (CAS 79838-91-8), with molecular formula C27H23ClN2O3S and molecular weight 490.11 g/mol. IUPAC: 5-[(4-chlorophenyl)methylidene]-1-(3-methoxyphenyl)-2-sulfanylidene-3-(2,4,6-trimethylphenyl)-1,3-diazinane-4,6-dione.
Chemical Property Profile of CTK5E7176
Property Insights of CTK5E7176
The XLogP value of 6.02216 indicates that CTK5E7176 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.85 Ų, CTK5E7176 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CTK5E7176 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK5E7176?
The CAS number of CTK5E7176 is 79838-91-8.
What is the molecular formula of CTK5E7176?
The molecular formula of CTK5E7176 is C27H23ClN2O3S.
What is the molecular weight of CTK5E7176?
The molecular weight of CTK5E7176 is 490.11 g/mol.
Where can I buy CTK5E7176?
You can request a quote for CTK5E7176 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK5E7176?
Yes, KEHONG BIO provides custom synthesis services for CTK5E7176 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.