BIM-0039131.P001
TL;DR: BIM-0039131.P001 (CAS 5974-43-6) is a chemical compound with molecular formula C12H9N3O5S and molecular weight 307.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(5-nitrofuran-2-yl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: BIM-0039131.P001, (5Z)-5-[(5-nitrofuran-2-yl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione, 1-allyl-5-[(5-nitro-2-furyl)methylene]-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
| Molecular Formula | C12H9N3O5S |
|---|---|
| Molecular Weight | 307.03 g/mol |
| LogP | 1.0005 |
| Topological Polar Surface Area | 105.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 307.0263 |
| Heavy Atoms | 21 |
| Complexity | 690.81995 |
Chemical Identifiers
| CAS Number | 5974-43-6 |
|---|---|
| SMILES | C=CCN1C(=O)/C(=C\C2=CC=C(O2)[N+](=O)[O-])/C(=O)NC1=S |
Product Overview
BIM-0039131.P001 (CAS 5974-43-6), with molecular formula C12H9N3O5S and molecular weight 307.03 g/mol. IUPAC: (5Z)-5-[(5-nitrofuran-2-yl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of BIM-0039131.P001
Property Insights of BIM-0039131.P001
The XLogP value of 1.0005 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BIM-0039131.P001. The TPSA of 105.69 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0039131.P001. Following Lipinski's Rule of Five, BIM-0039131.P001 has 1 hydrogen bond donor(s) and 6 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-0039131.P001?
The CAS number of BIM-0039131.P001 is 5974-43-6.
What is the molecular formula of BIM-0039131.P001?
The molecular formula of BIM-0039131.P001 is C12H9N3O5S.
What is the molecular weight of BIM-0039131.P001?
The molecular weight of BIM-0039131.P001 is 307.03 g/mol.
Where can I buy BIM-0039131.P001?
You can request a quote for BIM-0039131.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0039131.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0039131.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.