RefChem:1073462
TL;DR: RefChem:1073462 (CAS 31685-95-7) is a chemical compound with molecular formula C22H25NO5 and molecular weight 383.17 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-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)ethyl]azanium
Also Known As: 5H-Dibenzo(a,d)cycloheptene, 10,11-dihydro-5-((2-methylamino)ethoxy)-, hydrogen maleate, 2-((10,11-Dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)oxy)-N-methylethylamine hydrogen maleate, Ethylamine, 2-[(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)oxy]-N-methyl-, maleate (1:1), RefChem:1073462
| Molecular Formula | C22H25NO5 |
|---|---|
| Molecular Weight | 383.17 g/mol |
| LogP | 0.4615 |
| Topological Polar Surface Area | 103.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 383.17328 |
| Heavy Atoms | 28 |
| Complexity | 767.68176 |
Chemical Identifiers
| CAS Number | 31685-95-7 |
|---|---|
| SMILES | C[NH2+]CCOC1C2=CC=CC=C2CCC3=CC=CC=C13.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
RefChem:1073462 (CAS 31685-95-7), with molecular formula C22H25NO5 and molecular weight 383.17 g/mol. IUPAC: (Z)-4-hydroxy-4-oxobut-2-enoate;methyl-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)ethyl]azanium.
Chemical Property Profile of RefChem:1073462
Property Insights of RefChem:1073462
The XLogP value of 0.4615 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1073462. The TPSA of 103.27 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1073462. Following Lipinski's Rule of Five, RefChem:1073462 has 2 hydrogen bond donor(s) and 4 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:1073462?
The CAS number of RefChem:1073462 is 31685-95-7.
What is the molecular formula of RefChem:1073462?
The molecular formula of RefChem:1073462 is C22H25NO5.
What is the molecular weight of RefChem:1073462?
The molecular weight of RefChem:1073462 is 383.17 g/mol.
Where can I buy RefChem:1073462?
You can request a quote for RefChem:1073462 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1073462?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1073462 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.