Medosulepine hydrochloride
TL;DR: Medosulepine hydrochloride (CAS 23735-17-3) is a chemical compound with molecular formula C20H24ClNS and molecular weight 345.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl-[(3E)-3-(2-methyl-6H-benzo[c][1]benzothiepin-11-ylidene)propyl]azanium chloride
Also Known As: Methiadene hydrochloride, Medosulepine hydrochloride, MEDOSULEPINE HYDROCHLORIDE, (E)-, Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)-propylamine, N,N,2-trimethyl-, hydrochloride, (E)-, trans-N,N,2-Trimethyldibenzo(b,e)thiepin-delta(sup 11(6H),gamma)-propylamine hydrochloride
| Molecular Formula | C20H24ClNS |
|---|---|
| Molecular Weight | 345.13 g/mol |
| LogP | 0.57102 |
| Topological Polar Surface Area | 4.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.1318 |
| Heavy Atoms | 23 |
| Complexity | 706.5379 |
Chemical Identifiers
| CAS Number | 23735-17-3 |
|---|---|
| SMILES | CC1=CC\2=C(C=C1)SCC3=CC=CC=C3/C2=C\CC[NH+](C)C.[Cl-] |
Product Overview
Medosulepine hydrochloride (CAS 23735-17-3), with molecular formula C20H24ClNS and molecular weight 345.13 g/mol. IUPAC: dimethyl-[(3E)-3-(2-methyl-6H-benzo[c][1]benzothiepin-11-ylidene)propyl]azanium chloride.
Chemical Property Profile of Medosulepine hydrochloride
Property Insights of Medosulepine hydrochloride
The XLogP value of 0.57102 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Medosulepine hydrochloride. With a topological polar surface area (TPSA) of 4.44 Ų, Medosulepine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Medosulepine hydrochloride has 1 hydrogen bond donor(s) and 1 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 Medosulepine hydrochloride?
The CAS number of Medosulepine hydrochloride is 23735-17-3.
What is the molecular formula of Medosulepine hydrochloride?
The molecular formula of Medosulepine hydrochloride is C20H24ClNS.
What is the molecular weight of Medosulepine hydrochloride?
The molecular weight of Medosulepine hydrochloride is 345.13 g/mol.
Where can I buy Medosulepine hydrochloride?
You can request a quote for Medosulepine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Medosulepine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Medosulepine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.