RefChem:372445
TL;DR: RefChem:372445 (CAS 377-33-3) is a chemical compound with molecular formula C19H23Cl3N2O2S and molecular weight 448.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-5-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide;dihydrochloride
Also Known As: 1-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methylpiperazine S,4-dioxide 2HCl, Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methyl-, S,4-dioxide, dihydrochloride, 4-(8-chloro-5-oxido-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-1-methylpiperazine 1-oxide dihydrochloride, 2-Chloro-11-(4-methyl-4-oxo-4lambda~5~-piperazin-1-yl)-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f]thiepin-5-one--hydrogen chloride (1/2), 3-chloro-5-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide dihydrochloride
| Molecular Formula | C19H23Cl3N2O2S |
|---|---|
| Molecular Weight | 448.05 g/mol |
| LogP | 4.2075 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 448.0546 |
| Heavy Atoms | 27 |
| Complexity | 512.0 |
Chemical Identifiers
| CAS Number | 377-33-3 |
|---|---|
| SMILES | C[N+]1(CCN(CC1)C2CC3=CC=CC=C3S(=O)C4=C2C=C(C=C4)Cl)[O-].Cl.Cl |
| InChIKey | LXFFNLOEJDDDHR-UHFFFAOYSA-N |
Product Overview
RefChem:372445 (CAS 377-33-3), with molecular formula C19H23Cl3N2O2S and molecular weight 448.05 g/mol. IUPAC: 3-chloro-5-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide;dihydrochloride.
Chemical Property Profile of RefChem:372445
Property Insights of RefChem:372445
The XLogP value of 4.2075 indicates that RefChem:372445 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.6 Ų, RefChem:372445 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:372445 has 2 hydrogen bond donor(s) and 4 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:372445?
The CAS number of RefChem:372445 is 377-33-3.
What is the molecular formula of RefChem:372445?
The molecular formula of RefChem:372445 is C19H23Cl3N2O2S.
What is the molecular weight of RefChem:372445?
The molecular weight of RefChem:372445 is 448.05 g/mol.
Where can I buy RefChem:372445?
You can request a quote for RefChem:372445 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:372445?
Yes, KEHONG BIO provides custom synthesis services for RefChem:372445 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.