RefChem:1064251
TL;DR: RefChem:1064251 (CAS 80768-84-9) is a chemical compound with molecular formula C22H37NO6 and molecular weight 411.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;1-(tert-butylamino)-3-[2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethoxy]propan-2-ol
Also Known As: 3-t-Butylamino-1-(2-(6,6-dimethylbicyclo(3.1.1)hept-2-en-2-yl)ethoxy)-2-propanol maleate, 2-Propanol, 1-(2-(6,6-dimethylbicyclo(3.1.1)hept-2-en-2-yl)ethoxy)-3-((1,1-dimethylethyl)amino)-, (Z)-2-butenedioate (1:1) (salt), Tertiobutylamino-3 ((dimethyl-6,6 bicyclo(3,1,1)hepten-2 yl)-2 ethoxy)-1 propanol-2 maleate, (E)-but-2-enedioic acid; 1-(tert-butylamino)-3-[2-(6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)ethoxy]propan-2-ol, RefChem:1064251
| Molecular Formula | C22H37NO6 |
|---|---|
| Molecular Weight | 411.26 g/mol |
| LogP | 2.8463 |
| Topological Polar Surface Area | 116.09 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 411.2621 |
| Heavy Atoms | 29 |
| Complexity | 601.2822 |
Chemical Identifiers
| CAS Number | 80768-84-9 |
|---|---|
| SMILES | CC1(C2CC=C(C1C2)CCOCC(CNC(C)(C)C)O)C.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1064251 (CAS 80768-84-9), with molecular formula C22H37NO6 and molecular weight 411.26 g/mol. IUPAC: (E)-but-2-enedioic acid;1-(tert-butylamino)-3-[2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethoxy]propan-2-ol.
Chemical Property Profile of RefChem:1064251
Property Insights of RefChem:1064251
The XLogP value of 2.8463 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1064251. The TPSA of 116.09 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1064251. Following Lipinski's Rule of Five, RefChem:1064251 has 4 hydrogen bond donor(s) and 5 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:1064251?
The CAS number of RefChem:1064251 is 80768-84-9.
What is the molecular formula of RefChem:1064251?
The molecular formula of RefChem:1064251 is C22H37NO6.
What is the molecular weight of RefChem:1064251?
The molecular weight of RefChem:1064251 is 411.26 g/mol.
Where can I buy RefChem:1064251?
You can request a quote for RefChem:1064251 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1064251?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1064251 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.