C23H28F3NOS.ClH
TL;DR: C23H28F3NOS.ClH (CAS 52368-39-5) is a chemical compound with molecular formula C23H29ClF3NOS and molecular weight 459.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dibutyl-[2-hydroxy-2-[8-(trifluoromethyl)benzo[e][1]benzothiol-4-yl]ethyl]azanium chloride
Also Known As: Naphtho(2,1-b)thiophene-4-methanol, alpha-((dibutylamino)methyl)-8-(trifluoromethyl)-, hydrochloride, dibutyl-[2-hydroxy-2-[8-(trifluoromethyl)benzo[e][1]benzothiol-4-yl]ethyl]azanium chloride, NAPHTHO(2,1-b)THIOPHENE-4-METHANOL, alpha-((DIBUTYLAMINO)METHYL)-8-(TRIFLUOROMET
| Molecular Formula | C23H29ClF3NOS |
|---|---|
| Molecular Weight | 459.16 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 459.16104 |
| Heavy Atoms | 30 |
| Complexity | 495.0 |
Chemical Identifiers
| CAS Number | 52368-39-5 |
|---|---|
| SMILES | CCCC[NH+](CCCC)CC(C1=C2C(=C3C=C(C=CC3=C1)C(F)(F)F)C=CS2)O.[Cl-] |
| InChIKey | PSPJJYMWZWLKND-UHFFFAOYSA-N |
Product Overview
C23H28F3NOS.ClH (CAS 52368-39-5), with molecular formula C23H29ClF3NOS and molecular weight 459.16 g/mol. IUPAC: dibutyl-[2-hydroxy-2-[8-(trifluoromethyl)benzo[e][1]benzothiol-4-yl]ethyl]azanium chloride.
Chemical Property Profile of C23H28F3NOS.ClH
Property Insights of C23H28F3NOS.ClH
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C23H28F3NOS.ClH. With a topological polar surface area (TPSA) of 52.9 Ų, C23H28F3NOS.ClH exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C23H28F3NOS.ClH has 2 hydrogen bond donor(s) and 6 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 C23H28F3NOS.ClH?
The CAS number of C23H28F3NOS.ClH is 52368-39-5.
What is the molecular formula of C23H28F3NOS.ClH?
The molecular formula of C23H28F3NOS.ClH is C23H29ClF3NOS.
What is the molecular weight of C23H28F3NOS.ClH?
The molecular weight of C23H28F3NOS.ClH is 459.16 g/mol.
Where can I buy C23H28F3NOS.ClH?
You can request a quote for C23H28F3NOS.ClH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C23H28F3NOS.ClH?
Yes, KEHONG BIO provides custom synthesis services for C23H28F3NOS.ClH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.