BIM-0017271.P001
TL;DR: BIM-0017271.P001 (CAS 5934-42-9) is a chemical compound with molecular formula C23H16ClN3O6S and molecular weight 497.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene]-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: BIM-0017271.P001, 5-{[5-(2-chloro-5-nitrophenyl)-2-furyl]methylene}-1-(4-ethoxyphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione, (5E)-5-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene]-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione, (5E)-5-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-1-(4-ethoxyphenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione, (5E)-5-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-1-(4-ethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C23H16ClN3O6S |
|---|---|
| Molecular Weight | 497.04 g/mol |
| LogP | 4.7382 |
| Topological Polar Surface Area | 114.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 497.04483 |
| Heavy Atoms | 34 |
| Complexity | 1348.9902 |
Chemical Identifiers
| CAS Number | 5934-42-9 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=C(O3)C4=C(C=CC(=C4)[N+](=O)[O-])Cl)/C(=O)NC2=S |
Product Overview
BIM-0017271.P001 (CAS 5934-42-9), with molecular formula C23H16ClN3O6S and molecular weight 497.04 g/mol. IUPAC: (5E)-5-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene]-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of BIM-0017271.P001
Property Insights of BIM-0017271.P001
The XLogP value of 4.7382 indicates that BIM-0017271.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.92 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0017271.P001. Following Lipinski's Rule of Five, BIM-0017271.P001 has 1 hydrogen bond donor(s) and 7 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-0017271.P001?
The CAS number of BIM-0017271.P001 is 5934-42-9.
What is the molecular formula of BIM-0017271.P001?
The molecular formula of BIM-0017271.P001 is C23H16ClN3O6S.
What is the molecular weight of BIM-0017271.P001?
The molecular weight of BIM-0017271.P001 is 497.04 g/mol.
Where can I buy BIM-0017271.P001?
You can request a quote for BIM-0017271.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0017271.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0017271.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.