N-(7-氧代-1,3,5-环庚三烯-1-基)邻苯二甲酰亚胺
TL;DR: N-(7-氧代-1,3,5-环庚三烯-1-基)邻苯二甲酰亚胺 (CAS 18188-89-1) is a chemical compound with molecular formula C15H9NO3 and molecular weight 251.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(7-氧代-1,3,5-环庚三烯-1-基)邻苯二甲酰亚胺
2-(7-oxocyclohepta-1,3,5-trien-1-yl)isoindole-1,3-dione
Also Known As: 2-Phthalimidotropone, Phthalimide, N-(7-oxo-1,3,5-cycloheptatrien-1-yl)-, N-(7-Oxo-1,3,5-cycloheptatrien-1-yl)phthalimide, 5-21-10-00405 (Beilstein Handbook Reference), 2-(7-oxocyclohepta-1,3,5-trien-1-yl)isoindole-1,3-dione
| Molecular Formula | C15H9NO3 |
|---|---|
| Molecular Weight | 251.06 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 251.05824 |
| Heavy Atoms | 19 |
| Complexity | 518.0 |
Chemical Identifiers
| CAS Number | 18188-89-1 |
|---|---|
| SMILES | C1=CC=C(C(=O)C=C1)N2C(=O)C3=CC=CC=C3C2=O |
| InChIKey | FVMFBHBLHLONRP-UHFFFAOYSA-N |
Product Overview
N-(7-氧代-1,3,5-环庚三烯-1-基)邻苯二甲酰亚胺 (CAS 18188-89-1), with molecular formula C15H9NO3 and molecular weight 251.06 g/mol. IUPAC: 2-(7-oxocyclohepta-1,3,5-trien-1-yl)isoindole-1,3-dione.
Chemical Property Profile of N-(7-氧代-1,3,5-环庚三烯-1-基)邻苯二甲酰亚胺
Property Insights of N-(7-氧代-1,3,5-环庚三烯-1-基)邻苯二甲酰亚胺
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(7-氧代-1,3,5-环庚三烯-1-基)邻苯二甲酰亚胺. With a topological polar surface area (TPSA) of 54.5 Ų, N-(7-氧代-1,3,5-环庚三烯-1-基)邻苯二甲酰亚胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(7-氧代-1,3,5-环庚三烯-1-基)邻苯二甲酰亚胺 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 N-(7-氧代-1,3,5-环庚三烯-1-基)邻苯二甲酰亚胺?
The CAS number of N-(7-氧代-1,3,5-环庚三烯-1-基)邻苯二甲酰亚胺 is 18188-89-1.
What is the molecular formula of N-(7-氧代-1,3,5-环庚三烯-1-基)邻苯二甲酰亚胺?
The molecular formula of N-(7-氧代-1,3,5-环庚三烯-1-基)邻苯二甲酰亚胺 is C15H9NO3.
What is the molecular weight of N-(7-氧代-1,3,5-环庚三烯-1-基)邻苯二甲酰亚胺?
The molecular weight of N-(7-氧代-1,3,5-环庚三烯-1-基)邻苯二甲酰亚胺 is 251.06 g/mol.
Where can I buy N-(7-氧代-1,3,5-环庚三烯-1-基)邻苯二甲酰亚胺?
You can request a quote for N-(7-氧代-1,3,5-环庚三烯-1-基)邻苯二甲酰亚胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(7-氧代-1,3,5-环庚三烯-1-基)邻苯二甲酰亚胺?
Yes, KEHONG BIO provides custom synthesis services for N-(7-氧代-1,3,5-环庚三烯-1-基)邻苯二甲酰亚胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.