RefChem:1085147
TL;DR: RefChem:1085147 (CAS 5118-49-0) is a chemical compound with molecular formula C22H24ClNO5S and molecular weight 449.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)oxy]ethyl-dimethylazanium;(Z)-4-hydroxy-4-oxobut-2-enoate
Also Known As: Ethylamine, 2-((6-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)oxy)-N,N-dimethyl-, maleate (1:1), 2-((6-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)oxy)-N,N-dimethylethylamine maleate, 2-[(1-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)oxy]ethyl-dimethylazanium; (Z)-4-hydroxy-4-oxobut-2-enoate, RefChem:1085147
| Molecular Formula | C22H24ClNO5S |
|---|---|
| Molecular Weight | 449.11 g/mol |
| LogP | 1.6266 |
| Topological Polar Surface Area | 91.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 449.10638 |
| Heavy Atoms | 30 |
| Complexity | 900.15094 |
Chemical Identifiers
| CAS Number | 5118-49-0 |
|---|---|
| SMILES | C[NH+](C)CCOC1CC2=CC=CC=C2SC3=C1C=CC=C3Cl.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
RefChem:1085147 (CAS 5118-49-0), with molecular formula C22H24ClNO5S and molecular weight 449.11 g/mol. IUPAC: 2-[(1-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)oxy]ethyl-dimethylazanium;(Z)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of RefChem:1085147
Property Insights of RefChem:1085147
The XLogP value of 1.6266 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1085147. The TPSA of 91.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1085147. Following Lipinski's Rule of Five, RefChem:1085147 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:1085147?
The CAS number of RefChem:1085147 is 5118-49-0.
What is the molecular formula of RefChem:1085147?
The molecular formula of RefChem:1085147 is C22H24ClNO5S.
What is the molecular weight of RefChem:1085147?
The molecular weight of RefChem:1085147 is 449.11 g/mol.
Where can I buy RefChem:1085147?
You can request a quote for RefChem:1085147 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1085147?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1085147 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.