BIM-0048658.P001
TL;DR: BIM-0048658.P001 (CAS 5981-88-4) is a chemical compound with molecular formula C14H11ClN2O2S and molecular weight 306.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(3-chlorophenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: BIM-0048658.P001, (5Z)-5-[(3-chlorophenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione, 1-allyl-5-(3-chlorobenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione, (5Z)-5-[(3-Chlorophenyl)methylidene]-1-(prop-2-en-1-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C14H11ClN2O2S |
|---|---|
| Molecular Weight | 306.02 g/mol |
| LogP | 2.1527 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 306.02298 |
| Heavy Atoms | 20 |
| Complexity | 639.816 |
Chemical Identifiers
| CAS Number | 5981-88-4 |
|---|---|
| SMILES | C=CCN1C(=O)/C(=C\C2=CC(=CC=C2)Cl)/C(=O)NC1=S |
Product Overview
BIM-0048658.P001 (CAS 5981-88-4), with molecular formula C14H11ClN2O2S and molecular weight 306.02 g/mol. IUPAC: (5Z)-5-[(3-chlorophenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of BIM-0048658.P001
Property Insights of BIM-0048658.P001
The XLogP value of 2.1527 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BIM-0048658.P001. With a topological polar surface area (TPSA) of 49.41 Ų, BIM-0048658.P001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BIM-0048658.P001 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 BIM-0048658.P001?
The CAS number of BIM-0048658.P001 is 5981-88-4.
What is the molecular formula of BIM-0048658.P001?
The molecular formula of BIM-0048658.P001 is C14H11ClN2O2S.
What is the molecular weight of BIM-0048658.P001?
The molecular weight of BIM-0048658.P001 is 306.02 g/mol.
Where can I buy BIM-0048658.P001?
You can request a quote for BIM-0048658.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0048658.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0048658.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.