EX-10-542A
TL;DR: EX-10-542A (CAS 31909-67-8) is a chemical compound with molecular formula C58H60N4O4 and molecular weight 876.46 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(5-benzyl-11-(1-methylpiperidin-4-ylidene)-6H-benzo[c][1]benzazepine);(Z)-but-2-enedioic acid
Also Known As: 5-Benzyl-11-(4-(N-methylpiperidylene))-5,6-dihydromorphanthridine hydrogen maleate, 5-benzyl-11-(1-methylpiperidin-4-ylidene)-6H-benzo[c][1]benzazepine;(Z)-but-2-enedioic acid, Morphanthridine, 5-benzyl-5,6-dihydro-11-(1-methyl-4-piperidylidene)-, maleate (2:1), 5-Benzyl-11-(4-n-methyl piperidylene)-5,6-dihydromorphanthridine hydrogen maleate, 5-benzyl-11-(1-methylpiperidin-4-ylidene)-6H-benzo[c][1]benzazepine; (Z)-but-2-enedioic acid
| Molecular Formula | C58H60N4O4 |
|---|---|
| Molecular Weight | 876.46 g/mol |
| LogP | 11.1804 |
| Topological Polar Surface Area | 87.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 876.4615 |
| Heavy Atoms | 66 |
| Complexity | 2518.4873 |
Chemical Identifiers
| CAS Number | 31909-67-8 |
|---|---|
| SMILES | CN1CCC(=C2C3=CC=CC=C3CN(C4=CC=CC=C42)CC5=CC=CC=C5)CC1.CN1CCC(=C2C3=CC=CC=C3CN(C4=CC=CC=C42)CC5=CC=CC=C5)CC1.C(=C\C(=O)O)\C(=O)O |
Product Overview
EX-10-542A (CAS 31909-67-8), with molecular formula C58H60N4O4 and molecular weight 876.46 g/mol. IUPAC: bis(5-benzyl-11-(1-methylpiperidin-4-ylidene)-6H-benzo[c][1]benzazepine);(Z)-but-2-enedioic acid.
Chemical Property Profile of EX-10-542A
Property Insights of EX-10-542A
The XLogP value of 11.1804 indicates that EX-10-542A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.56 Ų falls within the moderate polarity range, balancing permeability and solubility for EX-10-542A. Following Lipinski's Rule of Five, EX-10-542A has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EX-10-542A?
The CAS number of EX-10-542A is 31909-67-8.
What is the molecular formula of EX-10-542A?
The molecular formula of EX-10-542A is C58H60N4O4.
What is the molecular weight of EX-10-542A?
The molecular weight of EX-10-542A is 876.46 g/mol.
Where can I buy EX-10-542A?
You can request a quote for EX-10-542A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EX-10-542A?
Yes, KEHONG BIO provides custom synthesis services for EX-10-542A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.