12M-016
TL;DR: 12M-016 (CAS 320422-87-5) is a chemical compound with molecular formula C20H20N2O2S and molecular weight 352.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-(4-methoxyphenyl)-5-[(4-propan-2-ylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Also Known As: 12M-016, 5-[(4-isopropylphenyl)methylene]-3-(4-methoxyphenyl)-2-thioxotetrahydro-4H-imidazol-4-one, (5Z)-3-(4-methoxyphenyl)-5-[(4-propan-2-ylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one, (5Z)-3-(4-methoxyphenyl)-5-{[4-(propan-2-yl)phenyl]methylidene}-2-sulfanylideneimidazolidin-4-one
| Molecular Formula | C20H20N2O2S |
|---|---|
| Molecular Weight | 352.12 g/mol |
| LogP | 4.0808 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 352.12454 |
| Heavy Atoms | 25 |
| Complexity | 823.7796 |
Chemical Identifiers
| CAS Number | 320422-87-5 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)N2)C3=CC=C(C=C3)OC |
Product Overview
12M-016 (CAS 320422-87-5), with molecular formula C20H20N2O2S and molecular weight 352.12 g/mol. IUPAC: (5Z)-3-(4-methoxyphenyl)-5-[(4-propan-2-ylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one.
Chemical Property Profile of 12M-016
Property Insights of 12M-016
The XLogP value of 4.0808 indicates that 12M-016 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.57 Ų, 12M-016 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12M-016 has 1 hydrogen bond donor(s) and 3 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 12M-016?
The CAS number of 12M-016 is 320422-87-5.
What is the molecular formula of 12M-016?
The molecular formula of 12M-016 is C20H20N2O2S.
What is the molecular weight of 12M-016?
The molecular weight of 12M-016 is 352.12 g/mol.
Where can I buy 12M-016?
You can request a quote for 12M-016 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12M-016?
Yes, KEHONG BIO provides custom synthesis services for 12M-016 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.