C22H28BrNOS.ClH
TL;DR: C22H28BrNOS.ClH (CAS 37094-62-5) is a chemical compound with molecular formula C22H29BrClNOS and molecular weight 469.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(8-bromobenzo[e][1]benzothiol-4-yl)-2-hydroxyethyl]-dibutylazanium chloride
Also Known As: Naphtho(2,1-b)thiophene-4-methanol, 8-bromo-alpha-((dibutylamino)methyl)-, hydrochloride, 8-Bromo-alpha-((dibutylamino)methyl)naphtho(2,1-b)thiophene-4-methanol hydrochloride, [2-(8-bromobenzo[e][1]benzothiol-4-yl)-2-hydroxyethyl]-dibutylazanium chloride
| Molecular Formula | C22H29BrClNOS |
|---|---|
| Molecular Weight | 469.08 g/mol |
| LogP | 2.34 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 469.08417 |
| Heavy Atoms | 27 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 37094-62-5 |
|---|---|
| SMILES | CCCC[NH+](CCCC)CC(C1=C2C(=C3C=C(C=CC3=C1)Br)C=CS2)O.[Cl-] |
| InChIKey | KPOIZQJGTGYJHE-UHFFFAOYSA-N |
Product Overview
C22H28BrNOS.ClH (CAS 37094-62-5), with molecular formula C22H29BrClNOS and molecular weight 469.08 g/mol. IUPAC: [2-(8-bromobenzo[e][1]benzothiol-4-yl)-2-hydroxyethyl]-dibutylazanium chloride.
Chemical Property Profile of C22H28BrNOS.ClH
Property Insights of C22H28BrNOS.ClH
The XLogP value of 2.34 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C22H28BrNOS.ClH. With a topological polar surface area (TPSA) of 52.9 Ų, C22H28BrNOS.ClH exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C22H28BrNOS.ClH has 2 hydrogen bond donor(s) and 3 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 C22H28BrNOS.ClH?
The CAS number of C22H28BrNOS.ClH is 37094-62-5.
What is the molecular formula of C22H28BrNOS.ClH?
The molecular formula of C22H28BrNOS.ClH is C22H29BrClNOS.
What is the molecular weight of C22H28BrNOS.ClH?
The molecular weight of C22H28BrNOS.ClH is 469.08 g/mol.
Where can I buy C22H28BrNOS.ClH?
You can request a quote for C22H28BrNOS.ClH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C22H28BrNOS.ClH?
Yes, KEHONG BIO provides custom synthesis services for C22H28BrNOS.ClH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.