116-9e
TL;DR: 116-9e (CAS 831217-43-7) is a chemical compound with molecular formula C31H32N2O5 and molecular weight 512.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[4-methyl-2-oxo-5-phenylmethoxycarbonyl-6-(4-phenylphenyl)-1,6-dihydropyrimidin-3-yl]hexanoic acid
Also Known As: 116-9e, MAL2-11B, UPCMLD00WMAL2-11B, DNAJA1 inhibitor 116-9e, MAL2-11B (116-9e)
| Molecular Formula | C31H32N2O5 |
|---|---|
| Molecular Weight | 512.23 g/mol |
| LogP | 6.0823 |
| Topological Polar Surface Area | 95.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 512.23114 |
| Heavy Atoms | 38 |
| Complexity | 1286.8647 |
Chemical Identifiers
| CAS Number | 831217-43-7 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1CCCCCC(=O)O)C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4 |
Product Overview
116-9e (CAS 831217-43-7), with molecular formula C31H32N2O5 and molecular weight 512.23 g/mol. IUPAC: 6-[4-methyl-2-oxo-5-phenylmethoxycarbonyl-6-(4-phenylphenyl)-1,6-dihydropyrimidin-3-yl]hexanoic acid.
Chemical Property Profile of 116-9e
Property Insights of 116-9e
The XLogP value of 6.0823 indicates that 116-9e is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 116-9e. Following Lipinski's Rule of Five, 116-9e has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 116-9e?
The CAS number of 116-9e is 831217-43-7.
What is the molecular formula of 116-9e?
The molecular formula of 116-9e is C31H32N2O5.
What is the molecular weight of 116-9e?
The molecular weight of 116-9e is 512.23 g/mol.
Where can I buy 116-9e?
You can request a quote for 116-9e directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 116-9e?
Yes, KEHONG BIO provides custom synthesis services for 116-9e and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.