BAS 00149609
TL;DR: BAS 00149609 (CAS 86872-80-2) is a chemical compound with molecular formula C25H21N3O2S and molecular weight 427.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[4-(dimethylamino)phenyl]methylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: BAS 00149609, 5-[(4-dimethylaminophenyl)methylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione, J1.893.261J, 5-{[4-(DIMETHYLAMINO)PHENYL]METHYLIDENE}-1,3-DIPHENYL-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE, 5-[[4-(dimethylamino)phenyl]methylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C25H21N3O2S |
|---|---|
| Molecular Weight | 427.14 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 427.13544 |
| Heavy Atoms | 31 |
| Complexity | 672.0 |
Chemical Identifiers
| CAS Number | 86872-80-2 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C=C2C(=O)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4 |
| InChIKey | DVPDRKFTVLAGJT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
BAS 00149609 (CAS 86872-80-2), with molecular formula C25H21N3O2S and molecular weight 427.14 g/mol. IUPAC: 5-[[4-(dimethylamino)phenyl]methylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of BAS 00149609
Property Insights of BAS 00149609
The XLogP value of 5.2 indicates that BAS 00149609 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00149609. Following Lipinski's Rule of Five, BAS 00149609 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 BAS 00149609?
The CAS number of BAS 00149609 is 86872-80-2.
What is the molecular formula of BAS 00149609?
The molecular formula of BAS 00149609 is C25H21N3O2S.
What is the molecular weight of BAS 00149609?
The molecular weight of BAS 00149609 is 427.14 g/mol.
Where can I buy BAS 00149609?
You can request a quote for BAS 00149609 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00149609?
Yes, KEHONG BIO provides custom synthesis services for BAS 00149609 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.