BIM-0025513.P001
TL;DR: BIM-0025513.P001 (CAS 5601-00-3) is a chemical compound with molecular formula C20H18N2O2 and molecular weight 318.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-[(E)-3-phenylprop-2-enylidene]amino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
Also Known As: BIM-0025513.P001, A1493/0065543, 2-{[(1E,2E)-3-phenylprop-2-en-1-ylidene]amino}-3a,4,7,7a-tetrahydro-1H-spiro[2-aza-4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione, 2'-{(E)-[(2E)-3-Phenylprop-2-en-1-ylidene]amino}-3'a,4',7',7'a-tetrahydro-1'H-spiro[cyclopropane-1,8'-[4,7]methanoisoindole]-1',3'(2'H)-dione, 2-{[(1{E},2{E})-3-PHENYLPROP-2-EN-1-YLIDENE]AMINO}-3A,4,7,7A-TETRAHYDRO-1{H}-SPIRO[2-AZA-4,7-METHANOISOINDOLE-8,1'-CYCLOPROPANE]-1,3(2{H})-DIONE
| Molecular Formula | C20H18N2O2 |
|---|---|
| Molecular Weight | 318.14 g/mol |
| LogP | 2.8828 |
| Topological Polar Surface Area | 49.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.13684 |
| Heavy Atoms | 24 |
| Complexity | 770.18756 |
Chemical Identifiers
| CAS Number | 5601-00-3 |
|---|---|
| SMILES | C1CC12C3C=CC2C4C3C(=O)N(C4=O)/N=C/C=C/C5=CC=CC=C5 |
Product Overview
BIM-0025513.P001 (CAS 5601-00-3), with molecular formula C20H18N2O2 and molecular weight 318.14 g/mol. IUPAC: 4-[(E)-[(E)-3-phenylprop-2-enylidene]amino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione.
Chemical Property Profile of BIM-0025513.P001
Property Insights of BIM-0025513.P001
The XLogP value of 2.8828 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BIM-0025513.P001. With a topological polar surface area (TPSA) of 49.74 Ų, BIM-0025513.P001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BIM-0025513.P001 has 0 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-0025513.P001?
The CAS number of BIM-0025513.P001 is 5601-00-3.
What is the molecular formula of BIM-0025513.P001?
The molecular formula of BIM-0025513.P001 is C20H18N2O2.
What is the molecular weight of BIM-0025513.P001?
The molecular weight of BIM-0025513.P001 is 318.14 g/mol.
Where can I buy BIM-0025513.P001?
You can request a quote for BIM-0025513.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0025513.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0025513.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.