A1866/0078469
TL;DR: A1866/0078469 (CAS 312320-06-2) is a chemical compound with molecular formula C24H21N3O2S and molecular weight 415.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylidene]-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: A1866/0078469, (5E)-5-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-1-(2-methylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (5E)-5-[(2,5-DIMETHYL-1-PHENYL-1H-PYRROL-3-YL)METHYLIDENE]-1-(2-METHYLPHENYL)-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE, (5E)-5-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-1-(2-methylphenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione, (5E)-5-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylidene]-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C24H21N3O2S |
|---|---|
| Molecular Weight | 415.14 g/mol |
| LogP | 4.23386 |
| Topological Polar Surface Area | 54.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 415.13544 |
| Heavy Atoms | 30 |
| Complexity | 1208.444 |
Chemical Identifiers
| CAS Number | 312320-06-2 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=O)/C(=C/C3=C(N(C(=C3)C)C4=CC=CC=C4)C)/C(=O)NC2=S |
Product Overview
A1866/0078469 (CAS 312320-06-2), with molecular formula C24H21N3O2S and molecular weight 415.14 g/mol. IUPAC: (5E)-5-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylidene]-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of A1866/0078469
Property Insights of A1866/0078469
The XLogP value of 4.23386 indicates that A1866/0078469 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.34 Ų, A1866/0078469 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A1866/0078469 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 A1866/0078469?
The CAS number of A1866/0078469 is 312320-06-2.
What is the molecular formula of A1866/0078469?
The molecular formula of A1866/0078469 is C24H21N3O2S.
What is the molecular weight of A1866/0078469?
The molecular weight of A1866/0078469 is 415.14 g/mol.
Where can I buy A1866/0078469?
You can request a quote for A1866/0078469 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1866/0078469?
Yes, KEHONG BIO provides custom synthesis services for A1866/0078469 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.