2-(Dodec-1-en-1-yl)butanedioic acid--2,2',2''-nitrilotri(ethan-1-ol) (1/1)
TL;DR: 2-(Dodec-1-en-1-yl)butanedioic acid--2,2',2''-nitrilotri(ethan-1-ol) (1/1) (CAS 64396-12-9) is a chemical compound with molecular formula C22H43NO7 and molecular weight 433.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[bis(2-hydroxyethyl)amino]ethanol;2-dodec-1-enylbutanedioic acid
Also Known As: 2-(Dodec-1-en-1-yl)butanedioic acid--2,2',2''-nitrilotri(ethan-1-ol) (1/1), Butanedioic acid, 2-(dodecen-1-yl)-, compd. with 2,2a(2),2a(2)a(2)-nitrilotris[ethanol]
| Molecular Formula | C22H43NO7 |
|---|---|
| Molecular Weight | 433.30 g/mol |
| LogP | 2.5142 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 19 |
| Exact Mass | 433.30396 |
| Heavy Atoms | 30 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 64396-12-9 |
|---|---|
| SMILES | CCCCCCCCCCC=CC(CC(=O)O)C(=O)O.C(CO)N(CCO)CCO |
| InChIKey | SNKGYMIRPZSXRO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Dodec-1-en-1-yl)butanedioic acid--2,2',2''-nitrilotri(ethan-1-ol) (1/1) (CAS 64396-12-9), with molecular formula C22H43NO7 and molecular weight 433.30 g/mol. IUPAC: 2-[bis(2-hydroxyethyl)amino]ethanol;2-dodec-1-enylbutanedioic acid.
Chemical Property Profile of 2-(Dodec-1-en-1-yl)butanedioic acid--2,2',2''-nitrilotri(ethan-1-ol) (1/1)
Property Insights of 2-(Dodec-1-en-1-yl)butanedioic acid--2,2',2''-nitrilotri(ethan-1-ol) (1/1)
The XLogP value of 2.5142 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Dodec-1-en-1-yl)butanedioic acid--2,2',2''-nitrilotri(ethan-1-ol) (1/1). The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Dodec-1-en-1-yl)butanedioic acid--2,2',2''-nitrilotri(ethan-1-ol) (1/1). Following Lipinski's Rule of Five, 2-(Dodec-1-en-1-yl)butanedioic acid--2,2',2''-nitrilotri(ethan-1-ol) (1/1) has 5 hydrogen bond donor(s) and 8 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 2-(Dodec-1-en-1-yl)butanedioic acid--2,2',2''-nitrilotri(ethan-1-ol) (1/1)?
The CAS number of 2-(Dodec-1-en-1-yl)butanedioic acid--2,2',2''-nitrilotri(ethan-1-ol) (1/1) is 64396-12-9.
What is the molecular formula of 2-(Dodec-1-en-1-yl)butanedioic acid--2,2',2''-nitrilotri(ethan-1-ol) (1/1)?
The molecular formula of 2-(Dodec-1-en-1-yl)butanedioic acid--2,2',2''-nitrilotri(ethan-1-ol) (1/1) is C22H43NO7.
What is the molecular weight of 2-(Dodec-1-en-1-yl)butanedioic acid--2,2',2''-nitrilotri(ethan-1-ol) (1/1)?
The molecular weight of 2-(Dodec-1-en-1-yl)butanedioic acid--2,2',2''-nitrilotri(ethan-1-ol) (1/1) is 433.30 g/mol.
Where can I buy 2-(Dodec-1-en-1-yl)butanedioic acid--2,2',2''-nitrilotri(ethan-1-ol) (1/1)?
You can request a quote for 2-(Dodec-1-en-1-yl)butanedioic acid--2,2',2''-nitrilotri(ethan-1-ol) (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Dodec-1-en-1-yl)butanedioic acid--2,2',2''-nitrilotri(ethan-1-ol) (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 2-(Dodec-1-en-1-yl)butanedioic acid--2,2',2''-nitrilotri(ethan-1-ol) (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.