Bicyclo(4.1.0)heptan-3-one, 2-((2-(diethylamino)ethoxy)methylene)-4,7,7-trimethyl-, (1-alpha,2Z,4-beta,6-alpha)-(+-)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (salt)
TL;DR: Bicyclo(4.1.0)heptan-3-one, 2-((2-(diethylamino)ethoxy)methylene)-4,7,7-trimethyl-, (1-alpha,2Z,4-beta,6-alpha)-(+-)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (salt) (CAS 153175-83-8) is a chemical compound with molecular formula C23H37NO9 and molecular weight 471.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2Z,4R,6S)-2-[2-(diethylamino)ethoxymethylidene]-4,7,7-trimethylbicyclo[4.1.0]heptan-3-one;2-hydroxypropane-1,2,3-tricarboxylic acid
Also Known As: Bicyclo(4.1.0)heptan-3-one, 2-((2-(diethylamino)ethoxy)methylene)-4,7,7-trimethyl-, (1-alpha,2Z,4-beta,6-alpha)-(+-)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (salt), (1S,3R,5Z,6R)-5-(2-diethylaminoethyloxymethylidene)-3,7,7-trimethylbicyclo[4.1.0]heptan-4-one; 2-hydroxypropane-1,2,3-tricarboxylic acid, RefChem:1079815
| Molecular Formula | C23H37NO9 |
|---|---|
| Molecular Weight | 471.25 g/mol |
| LogP | 1.8613 |
| Topological Polar Surface Area | 161.67 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 471.24683 |
| Heavy Atoms | 33 |
| Complexity | 753.89374 |
Chemical Identifiers
| CAS Number | 153175-83-8 |
|---|---|
| SMILES | CCN(CC)CCO/C=C\1/[C@@H]2[C@@H](C2(C)C)C[C@H](C1=O)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
Product Overview
Bicyclo(4.1.0)heptan-3-one, 2-((2-(diethylamino)ethoxy)methylene)-4,7,7-trimethyl-, (1-alpha,2Z,4-beta,6-alpha)-(+-)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (salt) (CAS 153175-83-8), with molecular formula C23H37NO9 and molecular weight 471.25 g/mol. IUPAC: (1R,2Z,4R,6S)-2-[2-(diethylamino)ethoxymethylidene]-4,7,7-trimethylbicyclo[4.1.0]heptan-3-one;2-hydroxypropane-1,2,3-tricarboxylic acid.
Chemical Property Profile of Bicyclo(4.1.0)heptan-3-one, 2-((2-(diethylamino)ethoxy)methylene)-4,7,7-trimethyl-, (1-alpha,2Z,4-beta,6-alpha)-(+-)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (salt)
Property Insights of Bicyclo(4.1.0)heptan-3-one, 2-((2-(diethylamino)ethoxy)methylene)-4,7,7-trimethyl-, (1-alpha,2Z,4-beta,6-alpha)-(+-)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (salt)
The XLogP value of 1.8613 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bicyclo(4.1.0)heptan-3-one, 2-((2-(diethylamino)ethoxy)methylene)-4,7,7-trimethyl-, (1-alpha,2Z,4-beta,6-alpha)-(+-)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (salt). The TPSA of 161.67 Ų indicates high polarity, suggesting Bicyclo(4.1.0)heptan-3-one, 2-((2-(diethylamino)ethoxy)methylene)-4,7,7-trimethyl-, (1-alpha,2Z,4-beta,6-alpha)-(+-)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (salt) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bicyclo(4.1.0)heptan-3-one, 2-((2-(diethylamino)ethoxy)methylene)-4,7,7-trimethyl-, (1-alpha,2Z,4-beta,6-alpha)-(+-)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (salt) has 4 hydrogen bond donor(s) and 7 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 Bicyclo(4.1.0)heptan-3-one, 2-((2-(diethylamino)ethoxy)methylene)-4,7,7-trimethyl-, (1-alpha,2Z,4-beta,6-alpha)-(+-)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (salt)?
The CAS number of Bicyclo(4.1.0)heptan-3-one, 2-((2-(diethylamino)ethoxy)methylene)-4,7,7-trimethyl-, (1-alpha,2Z,4-beta,6-alpha)-(+-)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (salt) is 153175-83-8.
What is the molecular formula of Bicyclo(4.1.0)heptan-3-one, 2-((2-(diethylamino)ethoxy)methylene)-4,7,7-trimethyl-, (1-alpha,2Z,4-beta,6-alpha)-(+-)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (salt)?
The molecular formula of Bicyclo(4.1.0)heptan-3-one, 2-((2-(diethylamino)ethoxy)methylene)-4,7,7-trimethyl-, (1-alpha,2Z,4-beta,6-alpha)-(+-)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (salt) is C23H37NO9.
What is the molecular weight of Bicyclo(4.1.0)heptan-3-one, 2-((2-(diethylamino)ethoxy)methylene)-4,7,7-trimethyl-, (1-alpha,2Z,4-beta,6-alpha)-(+-)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (salt)?
The molecular weight of Bicyclo(4.1.0)heptan-3-one, 2-((2-(diethylamino)ethoxy)methylene)-4,7,7-trimethyl-, (1-alpha,2Z,4-beta,6-alpha)-(+-)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (salt) is 471.25 g/mol.
Where can I buy Bicyclo(4.1.0)heptan-3-one, 2-((2-(diethylamino)ethoxy)methylene)-4,7,7-trimethyl-, (1-alpha,2Z,4-beta,6-alpha)-(+-)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (salt)?
You can request a quote for Bicyclo(4.1.0)heptan-3-one, 2-((2-(diethylamino)ethoxy)methylene)-4,7,7-trimethyl-, (1-alpha,2Z,4-beta,6-alpha)-(+-)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (salt) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bicyclo(4.1.0)heptan-3-one, 2-((2-(diethylamino)ethoxy)methylene)-4,7,7-trimethyl-, (1-alpha,2Z,4-beta,6-alpha)-(+-)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (salt)?
Yes, KEHONG BIO provides custom synthesis services for Bicyclo(4.1.0)heptan-3-one, 2-((2-(diethylamino)ethoxy)methylene)-4,7,7-trimethyl-, (1-alpha,2Z,4-beta,6-alpha)-(+-)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (salt) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.