RefChem:1067448
TL;DR: RefChem:1067448 (CAS 52501-60-7) is a chemical compound with molecular formula C26H31NO4 and molecular weight 421.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-4-hydroxy-4-oxobut-2-enoate;methyl-[(E)-4-phenyl-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)but-3-enyl]azanium
Also Known As: 1-Phenyl-1-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)-4-methylaminobutene maleate, 3-Buten-1-amine, N-methyl-4-phenyl-4-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)-, (Z)-2-butenedioate (1:1), 3-BUTEN-1-AMINE, N-METHYL-4-PHENYL-4-(6,7,8,9-TETRAHYDRO-5H-BENZOCYCLOHEPTEN-2-Y, (Z)-4-hydroxy-4-oxobut-2-enoate; methyl-[(E)-4-phenyl-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)but-3-enyl]azanium, RefChem:1067448
| Molecular Formula | C26H31NO4 |
|---|---|
| Molecular Weight | 421.23 g/mol |
| LogP | 2.3476 |
| Topological Polar Surface Area | 94.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 421.2253 |
| Heavy Atoms | 31 |
| Complexity | 900.25916 |
Chemical Identifiers
| CAS Number | 52501-60-7 |
|---|---|
| SMILES | C[NH2+]CC/C=C(\C1=CC=CC=C1)/C2=CC3=C(CCCCC3)C=C2.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
RefChem:1067448 (CAS 52501-60-7), with molecular formula C26H31NO4 and molecular weight 421.23 g/mol. IUPAC: (Z)-4-hydroxy-4-oxobut-2-enoate;methyl-[(E)-4-phenyl-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)but-3-enyl]azanium.
Chemical Property Profile of RefChem:1067448
Property Insights of RefChem:1067448
The XLogP value of 2.3476 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1067448. The TPSA of 94.04 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1067448. Following Lipinski's Rule of Five, RefChem:1067448 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:1067448?
The CAS number of RefChem:1067448 is 52501-60-7.
What is the molecular formula of RefChem:1067448?
The molecular formula of RefChem:1067448 is C26H31NO4.
What is the molecular weight of RefChem:1067448?
The molecular weight of RefChem:1067448 is 421.23 g/mol.
Where can I buy RefChem:1067448?
You can request a quote for RefChem:1067448 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1067448?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1067448 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.