C26H28NO.ClH
TL;DR: C26H28NO.ClH (CAS 13972-33-3) is a chemical compound with molecular formula C26H29Cl2NO and molecular weight 441.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[2-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl-ethylazanium chloride
Also Known As: Diethylamine, 2-(p-(2-(p-chlorophenyl)-1,2,3,4-tetrahydro-1-naphthyl)phenoxy)-, hydrochloride, 2-(p-(2-(p-Chlorophenyl)-1,2,3,4-tetrahydro-1-naphthyl)phenoxy)diethylamine hydrochloride, 2-[4-[2-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl-ethylazanium chloride
| Molecular Formula | C26H29Cl2NO |
|---|---|
| Molecular Weight | 441.16 g/mol |
| LogP | 2.17 |
| Topological Polar Surface Area | 25.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 441.16263 |
| Heavy Atoms | 30 |
| Complexity | 469.0 |
Chemical Identifiers
| CAS Number | 13972-33-3 |
|---|---|
| SMILES | CC[NH2+]CCOC1=CC=C(C=C1)C2C(CCC3=CC=CC=C23)C4=CC=C(C=C4)Cl.[Cl-] |
| InChIKey | YUBGLGZZNUWPGY-UHFFFAOYSA-N |
Product Overview
C26H28NO.ClH (CAS 13972-33-3), with molecular formula C26H29Cl2NO and molecular weight 441.16 g/mol. IUPAC: 2-[4-[2-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl-ethylazanium chloride.
Chemical Property Profile of C26H28NO.ClH
Property Insights of C26H28NO.ClH
The XLogP value of 2.17 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C26H28NO.ClH. With a topological polar surface area (TPSA) of 25.8 Ų, C26H28NO.ClH exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C26H28NO.ClH has 1 hydrogen bond donor(s) and 2 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 C26H28NO.ClH?
The CAS number of C26H28NO.ClH is 13972-33-3.
What is the molecular formula of C26H28NO.ClH?
The molecular formula of C26H28NO.ClH is C26H29Cl2NO.
What is the molecular weight of C26H28NO.ClH?
The molecular weight of C26H28NO.ClH is 441.16 g/mol.
Where can I buy C26H28NO.ClH?
You can request a quote for C26H28NO.ClH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C26H28NO.ClH?
Yes, KEHONG BIO provides custom synthesis services for C26H28NO.ClH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.