8N-729
TL;DR: 8N-729 (CAS 1005188-92-0) is a chemical compound with molecular formula C27H26N2O4 and molecular weight 442.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-methyl-4-(4-methylbenzoyl)-5-(3-nitrophenyl)pyrrolidin-3-yl]-(4-methylphenyl)methanone
Also Known As: 8N-729, [1-methyl-4-(4-methylbenzoyl)-5-(3-nitrophenyl)tetrahydro-1H-pyrrol-3-yl](4-methylphenyl)methanone, 1-methyl-3,4-bis(4-methylbenzoyl)-2-(3-nitrophenyl)pyrrolidine, [1-methyl-4-(4-methylbenzoyl)-5-(3-nitrophenyl)pyrrolidin-3-yl]-(4-methylphenyl)methanone, Methanone, 1,1'-[1-methyl-5-(3-nitrophenyl)-3,4-pyrrolidinediyl]bis[1-(4-methylphenyl)-
| Molecular Formula | C27H26N2O4 |
|---|---|
| Molecular Weight | 442.19 g/mol |
| LogP | 5.19634 |
| Topological Polar Surface Area | 80.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 442.18927 |
| Heavy Atoms | 33 |
| Complexity | 1201.5508 |
Chemical Identifiers
| CAS Number | 1005188-92-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)C2CN(C(C2C(=O)C3=CC=C(C=C3)C)C4=CC(=CC=C4)[N+](=O)[O-])C |
Product Overview
8N-729 (CAS 1005188-92-0), with molecular formula C27H26N2O4 and molecular weight 442.19 g/mol. IUPAC: [1-methyl-4-(4-methylbenzoyl)-5-(3-nitrophenyl)pyrrolidin-3-yl]-(4-methylphenyl)methanone.
Chemical Property Profile of 8N-729
Property Insights of 8N-729
The XLogP value of 5.19634 indicates that 8N-729 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 8N-729. Following Lipinski's Rule of Five, 8N-729 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8N-729?
The CAS number of 8N-729 is 1005188-92-0.
What is the molecular formula of 8N-729?
The molecular formula of 8N-729 is C27H26N2O4.
What is the molecular weight of 8N-729?
The molecular weight of 8N-729 is 442.19 g/mol.
Where can I buy 8N-729?
You can request a quote for 8N-729 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8N-729?
Yes, KEHONG BIO provides custom synthesis services for 8N-729 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.