Bicyclo(4.1.0)heptan-3-ol, 4-(2-(diethylamino)ethoxy)-3,7,7-trimethyl-, (1S-(1-alpha,3-beta,4-alpha,6-alpha))-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (salt)
TL;DR: Bicyclo(4.1.0)heptan-3-ol, 4-(2-(diethylamino)ethoxy)-3,7,7-trimethyl-, (1S-(1-alpha,3-beta,4-alpha,6-alpha))-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (salt) (CAS 153222-89-0) is a chemical compound with molecular formula C22H39NO9 and molecular weight 461.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,3R,4R,6R)-4-[2-(diethylamino)ethoxy]-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol;2-hydroxypropane-1,2,3-tricarboxylic acid
Also Known As: Bicyclo(4.1.0)heptan-3-ol, 4-(2-(diethylamino)ethoxy)-3,7,7-trimethyl-, (1S-(1-alpha,3-beta,4-alpha,6-alpha))-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (salt), (1R,3R,4R,6S)-3-(2-diethylaminoethyloxy)-4,7,7-trimethylbicyclo[4.1.0]heptan-4-ol; 2-hydroxypropane-1,2,3-tricarboxylic acid, 2-Hydroxypropane-1,2,3-tricarboxylic acid--(1S,3R,4R,6R)-4-[2-(diethylamino)ethoxy]-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol (1/1), RefChem:329384
| Molecular Formula | C22H39NO9 |
|---|---|
| Molecular Weight | 461.26 g/mol |
| LogP | 1.2819 |
| Topological Polar Surface Area | 164.83 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 461.26248 |
| Heavy Atoms | 32 |
| Complexity | 656.3126 |
Chemical Identifiers
| CAS Number | 153222-89-0 |
|---|---|
| SMILES | CCN(CC)CCO[C@@H]1C[C@@H]2[C@@H](C2(C)C)C[C@@]1(C)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
Product Overview
Bicyclo(4.1.0)heptan-3-ol, 4-(2-(diethylamino)ethoxy)-3,7,7-trimethyl-, (1S-(1-alpha,3-beta,4-alpha,6-alpha))-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (salt) (CAS 153222-89-0), with molecular formula C22H39NO9 and molecular weight 461.26 g/mol. IUPAC: (1S,3R,4R,6R)-4-[2-(diethylamino)ethoxy]-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol;2-hydroxypropane-1,2,3-tricarboxylic acid.
Chemical Property Profile of Bicyclo(4.1.0)heptan-3-ol, 4-(2-(diethylamino)ethoxy)-3,7,7-trimethyl-, (1S-(1-alpha,3-beta,4-alpha,6-alpha))-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (salt)
Property Insights of Bicyclo(4.1.0)heptan-3-ol, 4-(2-(diethylamino)ethoxy)-3,7,7-trimethyl-, (1S-(1-alpha,3-beta,4-alpha,6-alpha))-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (salt)
The XLogP value of 1.2819 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bicyclo(4.1.0)heptan-3-ol, 4-(2-(diethylamino)ethoxy)-3,7,7-trimethyl-, (1S-(1-alpha,3-beta,4-alpha,6-alpha))-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (salt). The TPSA of 164.83 Ų indicates high polarity, suggesting Bicyclo(4.1.0)heptan-3-ol, 4-(2-(diethylamino)ethoxy)-3,7,7-trimethyl-, (1S-(1-alpha,3-beta,4-alpha,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-ol, 4-(2-(diethylamino)ethoxy)-3,7,7-trimethyl-, (1S-(1-alpha,3-beta,4-alpha,6-alpha))-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (salt) has 5 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-ol, 4-(2-(diethylamino)ethoxy)-3,7,7-trimethyl-, (1S-(1-alpha,3-beta,4-alpha,6-alpha))-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (salt)?
The CAS number of Bicyclo(4.1.0)heptan-3-ol, 4-(2-(diethylamino)ethoxy)-3,7,7-trimethyl-, (1S-(1-alpha,3-beta,4-alpha,6-alpha))-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (salt) is 153222-89-0.
What is the molecular formula of Bicyclo(4.1.0)heptan-3-ol, 4-(2-(diethylamino)ethoxy)-3,7,7-trimethyl-, (1S-(1-alpha,3-beta,4-alpha,6-alpha))-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (salt)?
The molecular formula of Bicyclo(4.1.0)heptan-3-ol, 4-(2-(diethylamino)ethoxy)-3,7,7-trimethyl-, (1S-(1-alpha,3-beta,4-alpha,6-alpha))-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (salt) is C22H39NO9.
What is the molecular weight of Bicyclo(4.1.0)heptan-3-ol, 4-(2-(diethylamino)ethoxy)-3,7,7-trimethyl-, (1S-(1-alpha,3-beta,4-alpha,6-alpha))-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (salt)?
The molecular weight of Bicyclo(4.1.0)heptan-3-ol, 4-(2-(diethylamino)ethoxy)-3,7,7-trimethyl-, (1S-(1-alpha,3-beta,4-alpha,6-alpha))-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (salt) is 461.26 g/mol.
Where can I buy Bicyclo(4.1.0)heptan-3-ol, 4-(2-(diethylamino)ethoxy)-3,7,7-trimethyl-, (1S-(1-alpha,3-beta,4-alpha,6-alpha))-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (salt)?
You can request a quote for Bicyclo(4.1.0)heptan-3-ol, 4-(2-(diethylamino)ethoxy)-3,7,7-trimethyl-, (1S-(1-alpha,3-beta,4-alpha,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-ol, 4-(2-(diethylamino)ethoxy)-3,7,7-trimethyl-, (1S-(1-alpha,3-beta,4-alpha,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-ol, 4-(2-(diethylamino)ethoxy)-3,7,7-trimethyl-, (1S-(1-alpha,3-beta,4-alpha,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.