RefChem:1073443
TL;DR: RefChem:1073443 (CAS 52963-28-7) is a chemical compound with molecular formula C24H28N2O4S and molecular weight 440.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;2-(3-ethylsulfanyl-11-methylbenzo[b][1]benzazepin-5-yl)-N-methylethanamine
Also Known As: 8-(Ethylthio)-10-(2-(methylamino)ethyl)-5-methyl-5H-dibenz(b,f)azepine fumarate, 5H-Dibenz(b,f)azepine, 8-(ethylthio)-10-(2-(methylamino)ethyl)-5-methyl-, fumarate, 2-Aethylthio-5-methyl-11-(beta-methylaminoaethyl)-(5H)-dibenzo(b,f)azepin fumarat [German], 2-Ethylthio-5-methyl-11-(beta-methylaminoethyl)-(5H)-dibenzo(b,f)azepine fumarate, 5H-Dibenz(b,f)azepine-10-ethanamine, N,5-dimethyl-8-(ethylthio)-, (E)-2-butenedioate (1:1)
| Molecular Formula | C24H28N2O4S |
|---|---|
| Molecular Weight | 440.18 g/mol |
| LogP | 4.7418 |
| Topological Polar Surface Area | 89.87 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 440.17697 |
| Heavy Atoms | 31 |
| Complexity | 969.2946 |
Chemical Identifiers
| CAS Number | 52963-28-7 |
|---|---|
| SMILES | CCSC1=CC2=C(C=C1)N(C3=CC=CC=C3C=C2CCNC)C.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1073443 (CAS 52963-28-7), with molecular formula C24H28N2O4S and molecular weight 440.18 g/mol. IUPAC: (E)-but-2-enedioic acid;2-(3-ethylsulfanyl-11-methylbenzo[b][1]benzazepin-5-yl)-N-methylethanamine.
Chemical Property Profile of RefChem:1073443
Property Insights of RefChem:1073443
The XLogP value of 4.7418 indicates that RefChem:1073443 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.87 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1073443. Following Lipinski's Rule of Five, RefChem:1073443 has 3 hydrogen bond donor(s) and 5 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 RefChem:1073443?
The CAS number of RefChem:1073443 is 52963-28-7.
What is the molecular formula of RefChem:1073443?
The molecular formula of RefChem:1073443 is C24H28N2O4S.
What is the molecular weight of RefChem:1073443?
The molecular weight of RefChem:1073443 is 440.18 g/mol.
Where can I buy RefChem:1073443?
You can request a quote for RefChem:1073443 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1073443?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1073443 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.