RefChem:305450
TL;DR: RefChem:305450 (CAS 58645-81-1) is a chemical compound with molecular formula C23H30N2O4S and molecular weight 430.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-ethylsulfanyl-11-methyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl)-N,N-dimethylethanamine;oxalic acid
Also Known As: 8-(Ethylthio)-N,N,5-trimethyl-10,11-dihydro-5H-dibenz(b,f)azepine-10-ethanamine, 5H-Dibenz(b,f)azepine-10-ethanamine, 10,11-dihydro-8-(ethylthio)-N,N,5-trimethyl-, ethanedioate (1:1), 2-(3-ethylsulfanyl-11-methyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl)-N,N-dimethylethanamine; oxalic acid, Oxalic acid--2-[8-(ethylsulfanyl)-5-methyl-10,11-dihydro-5H-dibenzo[b,f]azepin-10-yl]-N,N-dimethylethan-1-amine (1/1), RefChem:305450
| Molecular Formula | C23H30N2O4S |
|---|---|
| Molecular Weight | 430.19 g/mol |
| LogP | 4.3135 |
| Topological Polar Surface Area | 81.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 430.19263 |
| Heavy Atoms | 30 |
| Complexity | 873.2569 |
Chemical Identifiers
| CAS Number | 58645-81-1 |
|---|---|
| SMILES | CCSC1=CC2=C(C=C1)N(C3=CC=CC=C3CC2CCN(C)C)C.C(=O)(C(=O)O)O |
Product Overview
RefChem:305450 (CAS 58645-81-1), with molecular formula C23H30N2O4S and molecular weight 430.19 g/mol. IUPAC: 2-(3-ethylsulfanyl-11-methyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl)-N,N-dimethylethanamine;oxalic acid.
Chemical Property Profile of RefChem:305450
Property Insights of RefChem:305450
The XLogP value of 4.3135 indicates that RefChem:305450 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 RefChem:305450. Following Lipinski's Rule of Five, RefChem:305450 has 2 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:305450?
The CAS number of RefChem:305450 is 58645-81-1.
What is the molecular formula of RefChem:305450?
The molecular formula of RefChem:305450 is C23H30N2O4S.
What is the molecular weight of RefChem:305450?
The molecular weight of RefChem:305450 is 430.19 g/mol.
Where can I buy RefChem:305450?
You can request a quote for RefChem:305450 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:305450?
Yes, KEHONG BIO provides custom synthesis services for RefChem:305450 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.