BIM-0004789.P001
TL;DR: BIM-0004789.P001 (CAS 6235-91-2) is a chemical compound with molecular formula C18H16ClN3O2S and molecular weight 373.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-1-(4-chlorophenyl)-2-sulfanylidene-5-[(1,2,5-trimethylpyrrol-3-yl)methylidene]-1,3-diazinane-4,6-dione
Also Known As: BIM-0004789.P001, (5E)-1-(4-chlorophenyl)-2-thioxo-5-[(1,2,5-trimethyl-1H-pyrrol-3-yl)methylidene]dihydropyrimidine-4,6(1H,5H)-dione, (E)-1-(4-chlorophenyl)-2-thioxo-5-((1,2,5-trimethyl-1H-pyrrol-3-yl)methylene)dihydropyrimidine-4,6(1H,5H)-dione, (5E)-1-(4-chlorophenyl)-2-sulfanyl-5-[(1,2,5-trimethyl-1H-pyrrol-3-yl)methylidene]pyrimidine-4,6(1H,5H)-dione, (5E)-1-(4-chlorophenyl)-2-sulfanylidene-5-[(1,2,5-trimethylpyrrol-3-yl)methylidene]-1,3-diazinane-4,6-dione
| Molecular Formula | C18H16ClN3O2S |
|---|---|
| Molecular Weight | 373.07 g/mol |
| LogP | 3.12664 |
| Topological Polar Surface Area | 54.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 373.0652 |
| Heavy Atoms | 25 |
| Complexity | 928.54297 |
Chemical Identifiers
| CAS Number | 6235-91-2 |
|---|---|
| SMILES | CC1=CC(=C(N1C)C)/C=C/2\C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)Cl |
Product Overview
BIM-0004789.P001 (CAS 6235-91-2), with molecular formula C18H16ClN3O2S and molecular weight 373.07 g/mol. IUPAC: (5E)-1-(4-chlorophenyl)-2-sulfanylidene-5-[(1,2,5-trimethylpyrrol-3-yl)methylidene]-1,3-diazinane-4,6-dione.
Chemical Property Profile of BIM-0004789.P001
Property Insights of BIM-0004789.P001
The XLogP value of 3.12664 indicates that BIM-0004789.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.34 Ų, BIM-0004789.P001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BIM-0004789.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-0004789.P001?
The CAS number of BIM-0004789.P001 is 6235-91-2.
What is the molecular formula of BIM-0004789.P001?
The molecular formula of BIM-0004789.P001 is C18H16ClN3O2S.
What is the molecular weight of BIM-0004789.P001?
The molecular weight of BIM-0004789.P001 is 373.07 g/mol.
Where can I buy BIM-0004789.P001?
You can request a quote for BIM-0004789.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0004789.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0004789.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.