RefChem:1084442
TL;DR: RefChem:1084442 (CAS 34770-84-8) is a chemical compound with molecular formula C22H24ClNO6S and molecular weight 465.10 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-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-(2-hydroxyethyl)amino]ethanol
Also Known As: 2,2'-((8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)imino)bisethanol maleate, Ethanol, 2,2'-((8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)imino)bis-, (Z)-2-butenedioate (1:1), 8-Chloro-10-(bis(2-hydroxyethyl)amino)-10,11-dihydrodibenzo(b,f)thiepin hydrogen maleate, (E)-but-2-enedioic acid; 2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-(2-hydroxyethyl)amino]ethanol, RefChem:1084442
| Molecular Formula | C22H24ClNO6S |
|---|---|
| Molecular Weight | 465.10 g/mol |
| LogP | 3.0868 |
| Topological Polar Surface Area | 118.3 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 465.1013 |
| Heavy Atoms | 31 |
| Complexity | 913.96716 |
Chemical Identifiers
| CAS Number | 34770-84-8 |
|---|---|
| SMILES | C1C(C2=C(C=CC(=C2)Cl)SC3=CC=CC=C31)N(CCO)CCO.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1084442 (CAS 34770-84-8), with molecular formula C22H24ClNO6S and molecular weight 465.10 g/mol. IUPAC: (E)-but-2-enedioic acid;2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-(2-hydroxyethyl)amino]ethanol.
Chemical Property Profile of RefChem:1084442
Property Insights of RefChem:1084442
The XLogP value of 3.0868 indicates that RefChem:1084442 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.3 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1084442. Following Lipinski's Rule of Five, RefChem:1084442 has 4 hydrogen bond donor(s) and 6 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:1084442?
The CAS number of RefChem:1084442 is 34770-84-8.
What is the molecular formula of RefChem:1084442?
The molecular formula of RefChem:1084442 is C22H24ClNO6S.
What is the molecular weight of RefChem:1084442?
The molecular weight of RefChem:1084442 is 465.10 g/mol.
Where can I buy RefChem:1084442?
You can request a quote for RefChem:1084442 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1084442?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1084442 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.