4,5-Dihydro-2-(2-chloro-6,11-dihydrodibenzo(b,e)thiepin-11-yl)-1H-imidazole (Z)-2-butenedioate
TL;DR: 4,5-Dihydro-2-(2-chloro-6,11-dihydrodibenzo(b,e)thiepin-11-yl)-1H-imidazole (Z)-2-butenedioate (CAS 121996-26-7) is a chemical compound with molecular formula C21H19ClN2O4S and molecular weight 430.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;2-(2-chloro-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-4,5-dihydro-1H-imidazole
Also Known As: 4,5-Dihydro-2-(2-chloro-6,11-dihydrodibenzo(b,e)thiepin-11-yl)-1H-imidazole (Z)-2-butenedioate, 2-(2-Chloro-6,11-dihydrodibenzo(b,e)thiepin-11-yl)-4,5-dihydroimidazole hydrogen maleate, 1H-Imidazole, 4,5-dihydro-2-(2-chloro-6,11-dihydrodibenzo(b,e)thiepin-11-yl)-, (Z)-2-butenedioate (1:1)
| Molecular Formula | C21H19ClN2O4S |
|---|---|
| Molecular Weight | 430.08 g/mol |
| LogP | 3.7911 |
| Topological Polar Surface Area | 98.99 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 430.0754 |
| Heavy Atoms | 29 |
| Complexity | 974.3964 |
Chemical Identifiers
| CAS Number | 121996-26-7 |
|---|---|
| SMILES | C1CN=C(N1)C2C3=CC=CC=C3CSC4=C2C=C(C=C4)Cl.C(=CC(=O)O)C(=O)O |
Product Overview
4,5-Dihydro-2-(2-chloro-6,11-dihydrodibenzo(b,e)thiepin-11-yl)-1H-imidazole (Z)-2-butenedioate (CAS 121996-26-7), with molecular formula C21H19ClN2O4S and molecular weight 430.08 g/mol. IUPAC: but-2-enedioic acid;2-(2-chloro-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-4,5-dihydro-1H-imidazole.
Chemical Property Profile of 4,5-Dihydro-2-(2-chloro-6,11-dihydrodibenzo(b,e)thiepin-11-yl)-1H-imidazole (Z)-2-butenedioate
Property Insights of 4,5-Dihydro-2-(2-chloro-6,11-dihydrodibenzo(b,e)thiepin-11-yl)-1H-imidazole (Z)-2-butenedioate
The XLogP value of 3.7911 indicates that 4,5-Dihydro-2-(2-chloro-6,11-dihydrodibenzo(b,e)thiepin-11-yl)-1H-imidazole (Z)-2-butenedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-Dihydro-2-(2-chloro-6,11-dihydrodibenzo(b,e)thiepin-11-yl)-1H-imidazole (Z)-2-butenedioate. Following Lipinski's Rule of Five, 4,5-Dihydro-2-(2-chloro-6,11-dihydrodibenzo(b,e)thiepin-11-yl)-1H-imidazole (Z)-2-butenedioate 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 4,5-Dihydro-2-(2-chloro-6,11-dihydrodibenzo(b,e)thiepin-11-yl)-1H-imidazole (Z)-2-butenedioate?
The CAS number of 4,5-Dihydro-2-(2-chloro-6,11-dihydrodibenzo(b,e)thiepin-11-yl)-1H-imidazole (Z)-2-butenedioate is 121996-26-7.
What is the molecular formula of 4,5-Dihydro-2-(2-chloro-6,11-dihydrodibenzo(b,e)thiepin-11-yl)-1H-imidazole (Z)-2-butenedioate?
The molecular formula of 4,5-Dihydro-2-(2-chloro-6,11-dihydrodibenzo(b,e)thiepin-11-yl)-1H-imidazole (Z)-2-butenedioate is C21H19ClN2O4S.
What is the molecular weight of 4,5-Dihydro-2-(2-chloro-6,11-dihydrodibenzo(b,e)thiepin-11-yl)-1H-imidazole (Z)-2-butenedioate?
The molecular weight of 4,5-Dihydro-2-(2-chloro-6,11-dihydrodibenzo(b,e)thiepin-11-yl)-1H-imidazole (Z)-2-butenedioate is 430.08 g/mol.
Where can I buy 4,5-Dihydro-2-(2-chloro-6,11-dihydrodibenzo(b,e)thiepin-11-yl)-1H-imidazole (Z)-2-butenedioate?
You can request a quote for 4,5-Dihydro-2-(2-chloro-6,11-dihydrodibenzo(b,e)thiepin-11-yl)-1H-imidazole (Z)-2-butenedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dihydro-2-(2-chloro-6,11-dihydrodibenzo(b,e)thiepin-11-yl)-1H-imidazole (Z)-2-butenedioate?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dihydro-2-(2-chloro-6,11-dihydrodibenzo(b,e)thiepin-11-yl)-1H-imidazole (Z)-2-butenedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.