C19H20BrNS.ClH
TL;DR: C19H20BrNS.ClH (CAS 95424-10-5) is a chemical compound with molecular formula C19H21BrClNS and molecular weight 409.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3Z)-3-(2-bromo-6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-dimethylazanium chloride
Also Known As: Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)propylamine, 2-bromo-N,N-dimethyl-, hydrochloride, 2-Bromo-N,N-dimethyldibenzo(b,e)thiepin-delta(sup 11(6H),gamma)propylamine hydrochloride, [(3Z)-3-(2-bromo-6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-dimethylazanium chloride, RefChem:1083325
| Molecular Formula | C19H21BrClNS |
|---|---|
| Molecular Weight | 409.03 g/mol |
| LogP | 1.0251 |
| Topological Polar Surface Area | 4.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 409.02667 |
| Heavy Atoms | 23 |
| Complexity | 712.26587 |
Chemical Identifiers
| CAS Number | 95424-10-5 |
|---|---|
| SMILES | C[NH+](C)CC/C=C\1/C2=CC=CC=C2CSC3=C1C=C(C=C3)Br.[Cl-] |
Product Overview
C19H20BrNS.ClH (CAS 95424-10-5), with molecular formula C19H21BrClNS and molecular weight 409.03 g/mol. IUPAC: [(3Z)-3-(2-bromo-6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-dimethylazanium chloride.
Chemical Property Profile of C19H20BrNS.ClH
Property Insights of C19H20BrNS.ClH
The XLogP value of 1.0251 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C19H20BrNS.ClH. With a topological polar surface area (TPSA) of 4.44 Ų, C19H20BrNS.ClH exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C19H20BrNS.ClH 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 C19H20BrNS.ClH?
The CAS number of C19H20BrNS.ClH is 95424-10-5.
What is the molecular formula of C19H20BrNS.ClH?
The molecular formula of C19H20BrNS.ClH is C19H21BrClNS.
What is the molecular weight of C19H20BrNS.ClH?
The molecular weight of C19H20BrNS.ClH is 409.03 g/mol.
Where can I buy C19H20BrNS.ClH?
You can request a quote for C19H20BrNS.ClH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C19H20BrNS.ClH?
Yes, KEHONG BIO provides custom synthesis services for C19H20BrNS.ClH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.