RefChem:1055980
TL;DR: RefChem:1055980 (CAS 102147-05-7) is a chemical compound with molecular formula C25H31NO4 and molecular weight 409.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-(2-phenylethyl)azanium;(Z)-4-hydroxy-4-oxobut-2-enoate
Also Known As: 1-Naphthalenemethanamine, 1,2,3,4-tetrahydro-8-ethyl-N-(2-phenylethyl)-, (Z)-2-butenedioate, 8-Ethyl-1-(2-phenylethylamino)methyl-1,2,3,4-tetrahydronaphthalene hydrogen maleate, 1,2,3,4-Tetrahydro-8-ethyl-N-(2-phenylethyl)-1-naphthalenemethanamine maleate, 1-NAPHTHALENEMETHANAMINE, 1,2,3,4-TETRAHYDRO-8-ETHYL-N-(2-PHENYLETHYL)-, (Z)-2-B, (8-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-phenethylazanium; (Z)-4-hydroxy-4-oxobut-2-enoate
| Molecular Formula | C25H31NO4 |
|---|---|
| Molecular Weight | 409.23 g/mol |
| LogP | 1.8521 |
| Topological Polar Surface Area | 94.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 409.2253 |
| Heavy Atoms | 30 |
| Complexity | 815.23206 |
Chemical Identifiers
| CAS Number | 102147-05-7 |
|---|---|
| SMILES | CCC1=CC=CC2=C1C(CCC2)C[NH2+]CCC3=CC=CC=C3.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
RefChem:1055980 (CAS 102147-05-7), with molecular formula C25H31NO4 and molecular weight 409.23 g/mol. IUPAC: (8-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-(2-phenylethyl)azanium;(Z)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of RefChem:1055980
Property Insights of RefChem:1055980
The XLogP value of 1.8521 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1055980. The TPSA of 94.04 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1055980. Following Lipinski's Rule of Five, RefChem:1055980 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 RefChem:1055980?
The CAS number of RefChem:1055980 is 102147-05-7.
What is the molecular formula of RefChem:1055980?
The molecular formula of RefChem:1055980 is C25H31NO4.
What is the molecular weight of RefChem:1055980?
The molecular weight of RefChem:1055980 is 409.23 g/mol.
Where can I buy RefChem:1055980?
You can request a quote for RefChem:1055980 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1055980?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1055980 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.