IDI1_019877
TL;DR: IDI1_019877 (CAS 358731-19-8) is a chemical compound with molecular formula C18H15IN2O2 and molecular weight 418.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(3-iodophenyl)methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
Also Known As: IDI1_019877, A1474/0065032, 4-[(3-iodobenzylidene)amino]-spiro[4-azatricyclo[5.2.1.0~2,6~]dec[8]ene-10,1'-cyclopropane]-3,5-dione, 2-{[(E)-(3-iodophenyl)methylidene]amino}-3a,4,7,7a-tetrahydro-1H-spiro[2-aza-4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione, 2-{[(1E)-(3-iodophenyl)methylene]amino}-3a,4,7,7a-tetrahydro-1H-spiro[2-aza-4,7-methanoisoindole-8,1'-cyclopropane]-1,3(2H)-dione
| Molecular Formula | C18H15IN2O2 |
|---|---|
| Molecular Weight | 418.02 g/mol |
| LogP | 2.8223 |
| Topological Polar Surface Area | 49.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 418.01782 |
| Heavy Atoms | 23 |
| Complexity | 761.96625 |
Chemical Identifiers
| CAS Number | 358731-19-8 |
|---|---|
| SMILES | C1CC12C3C=CC2C4C3C(=O)N(C4=O)/N=C/C5=CC(=CC=C5)I |
Product Overview
IDI1_019877 (CAS 358731-19-8), with molecular formula C18H15IN2O2 and molecular weight 418.02 g/mol. IUPAC: 4-[(E)-(3-iodophenyl)methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione.
Chemical Property Profile of IDI1_019877
Property Insights of IDI1_019877
The XLogP value of 2.8223 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IDI1_019877. With a topological polar surface area (TPSA) of 49.74 Ų, IDI1_019877 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, IDI1_019877 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 IDI1_019877?
The CAS number of IDI1_019877 is 358731-19-8.
What is the molecular formula of IDI1_019877?
The molecular formula of IDI1_019877 is C18H15IN2O2.
What is the molecular weight of IDI1_019877?
The molecular weight of IDI1_019877 is 418.02 g/mol.
Where can I buy IDI1_019877?
You can request a quote for IDI1_019877 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IDI1_019877?
Yes, KEHONG BIO provides custom synthesis services for IDI1_019877 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.