A3216/0136413
TL;DR: A3216/0136413 (CAS 372979-05-0) is a chemical compound with molecular formula C27H21N3O2S and molecular weight 451.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(1-benzylindol-3-yl)methylidene]-1-(3-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: A3216/0136413, (Z)-5-((1-benzyl-1H-indol-3-yl)methylene)-2-thioxo-1-(m-tolyl)dihydropyrimidine-4,6(1H,5H)-dione, (5Z)-5-[(1-benzyl-1H-indol-3-yl)methylidene]-1-(3-methylphenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione, (5Z)-5-[(1-benzylindol-3-yl)methylidene]-1-(3-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione, 5-[(Z)-1-(1-BENZYL-1H-INDOL-3-YL)METHYLIDENE]-1-(3-METHYLPHENYL)-2-THIOXODIHYDRO-4,6(1H)-PYRIMIDINEDIONE
| Molecular Formula | C27H21N3O2S |
|---|---|
| Molecular Weight | 451.14 g/mol |
| LogP | 4.82932 |
| Topological Polar Surface Area | 54.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 451.13544 |
| Heavy Atoms | 33 |
| Complexity | 1436.296 |
Chemical Identifiers
| CAS Number | 372979-05-0 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=O)/C(=C\C3=CN(C4=CC=CC=C43)CC5=CC=CC=C5)/C(=O)NC2=S |
Product Overview
A3216/0136413 (CAS 372979-05-0), with molecular formula C27H21N3O2S and molecular weight 451.14 g/mol. IUPAC: (5Z)-5-[(1-benzylindol-3-yl)methylidene]-1-(3-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of A3216/0136413
Property Insights of A3216/0136413
The XLogP value of 4.82932 indicates that A3216/0136413 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.34 Ų, A3216/0136413 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3216/0136413 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 A3216/0136413?
The CAS number of A3216/0136413 is 372979-05-0.
What is the molecular formula of A3216/0136413?
The molecular formula of A3216/0136413 is C27H21N3O2S.
What is the molecular weight of A3216/0136413?
The molecular weight of A3216/0136413 is 451.14 g/mol.
Where can I buy A3216/0136413?
You can request a quote for A3216/0136413 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3216/0136413?
Yes, KEHONG BIO provides custom synthesis services for A3216/0136413 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.