EX-10-542A
TL;DR: EX-10-542A (CAS 23239-59-0) is a chemical compound with molecular formula C31H32N2O4 and molecular weight 496.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzyl-11-(1-methylpiperidin-4-ylidene)-6H-benzo[c][1]benzazepine;(E)-but-2-enedioic acid
Also Known As: EX-10-542A, 5-BENZYL-11-(4-(N-METHYLPIPERIDYLENE))5,6-DIHYDROMORPHANTHRIDINE MALEATE, 5-Benzyl-11-(4-n-methyl piperidylene)-5,6-dihydromorphanthridine hydrogen maleate, 5-benzyl-11-(1-methylpiperidin-4-ylidene)-6H-benzo[c][1]benzazepine; (E)-but-2-enedioic acid, 5H-Dibenz[b,e]azepine, 6,11-dihydro-11-(1-methyl-4-piperidinylidene)-5-(phenylmethyl)-, (Z)-2-butenedioate (1:1)
| Molecular Formula | C31H32N2O4 |
|---|---|
| Molecular Weight | 496.24 g/mol |
| LogP | 5.4461 |
| Topological Polar Surface Area | 81.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 496.2362 |
| Heavy Atoms | 37 |
| Complexity | 1287.548 |
Chemical Identifiers
| CAS Number | 23239-59-0 |
|---|---|
| SMILES | 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 23239-59-0), with molecular formula C31H32N2O4 and molecular weight 496.24 g/mol. IUPAC: 5-benzyl-11-(1-methylpiperidin-4-ylidene)-6H-benzo[c][1]benzazepine;(E)-but-2-enedioic acid.
Chemical Property Profile of EX-10-542A
Property Insights of EX-10-542A
The XLogP value of 5.4461 indicates that EX-10-542A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.08 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 4 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 23239-59-0.
What is the molecular formula of EX-10-542A?
The molecular formula of EX-10-542A is C31H32N2O4.
What is the molecular weight of EX-10-542A?
The molecular weight of EX-10-542A is 496.24 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.