BAS 00886816
TL;DR: BAS 00886816 (CAS 330632-35-4) is a chemical compound with molecular formula C25H22ClN3O2S and molecular weight 463.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-1-(3-chlorophenyl)-5-[[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: BAS 00886816, (5E)-1-(3-chlorophenyl)-5-{[1-(3,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (E)-1-(3-chlorophenyl)-5-((1-(3,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (5E)-1-(3-chlorophenyl)-5-[[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (5E)-1-(3-CHLOROPHENYL)-5-{[1-(3,5-DIMETHYLPHENYL)-2,5-DIMETHYL-1H-PYRROL-3-YL]METHYLIDENE}-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE
| Molecular Formula | C25H22ClN3O2S |
|---|---|
| Molecular Weight | 463.11 g/mol |
| LogP | 5.19568 |
| Topological Polar Surface Area | 54.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 463.11212 |
| Heavy Atoms | 32 |
| Complexity | 1302.4664 |
Chemical Identifiers
| CAS Number | 330632-35-4 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)N2C(=CC(=C2C)/C=C/3\C(=O)NC(=S)N(C3=O)C4=CC(=CC=C4)Cl)C)C |
Product Overview
BAS 00886816 (CAS 330632-35-4), with molecular formula C25H22ClN3O2S and molecular weight 463.11 g/mol. IUPAC: (5E)-1-(3-chlorophenyl)-5-[[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of BAS 00886816
Property Insights of BAS 00886816
The XLogP value of 5.19568 indicates that BAS 00886816 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.34 Ų, BAS 00886816 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00886816 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00886816?
The CAS number of BAS 00886816 is 330632-35-4.
What is the molecular formula of BAS 00886816?
The molecular formula of BAS 00886816 is C25H22ClN3O2S.
What is the molecular weight of BAS 00886816?
The molecular weight of BAS 00886816 is 463.11 g/mol.
Where can I buy BAS 00886816?
You can request a quote for BAS 00886816 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00886816?
Yes, KEHONG BIO provides custom synthesis services for BAS 00886816 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.