(2R)-2-ethylhexanoic acid;1,1,3,3-tetramethylguanidine
TL;DR: (2R)-2-ethylhexanoic acid;1,1,3,3-tetramethylguanidine (CAS 472-26-4) is a chemical compound with molecular formula C13H29N3O2 and molecular weight 259.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-ethylhexanoic acid;1,1,3,3-tetramethylguanidine
Also Known As: KST-1A4948, (2r)-2-ethylhexanoic acid- 1,1,3,3-tetramethylguanidine(1:1), (2R)-2-ethylhexanoic acid; 1,1,3,3-tetramethylguanidine, 2-Ethylhexanoic acid, compound with 1,1,3,3-tetramethylguanidine (1:1), Hexanoic acid, 2-ethyl-, compd. with N,N,N',N'-tetramethylguanidine (1:1)
| Molecular Formula | C13H29N3O2 |
|---|---|
| Molecular Weight | 259.23 g/mol |
| LogP | 2.33 |
| Topological Polar Surface Area | 67.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 259.22598 |
| Heavy Atoms | 18 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 472-26-4 |
|---|---|
| SMILES | CCCC[C@@H](CC)C(=O)O.CN(C)C(=N)N(C)C |
| InChIKey | IRQKNGBRWKGEOJ-OGFXRTJISA-N |
Product Overview
(2R)-2-ethylhexanoic acid;1,1,3,3-tetramethylguanidine (CAS 472-26-4), with molecular formula C13H29N3O2 and molecular weight 259.23 g/mol. IUPAC: (2R)-2-ethylhexanoic acid;1,1,3,3-tetramethylguanidine.
Chemical Property Profile of (2R)-2-ethylhexanoic acid;1,1,3,3-tetramethylguanidine
Property Insights of (2R)-2-ethylhexanoic acid;1,1,3,3-tetramethylguanidine
The XLogP value of 2.33 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2R)-2-ethylhexanoic acid;1,1,3,3-tetramethylguanidine. The TPSA of 67.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (2R)-2-ethylhexanoic acid;1,1,3,3-tetramethylguanidine. Following Lipinski's Rule of Five, (2R)-2-ethylhexanoic acid;1,1,3,3-tetramethylguanidine has 2 hydrogen bond donor(s) and 3 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 (2R)-2-ethylhexanoic acid;1,1,3,3-tetramethylguanidine?
The CAS number of (2R)-2-ethylhexanoic acid;1,1,3,3-tetramethylguanidine is 472-26-4.
What is the molecular formula of (2R)-2-ethylhexanoic acid;1,1,3,3-tetramethylguanidine?
The molecular formula of (2R)-2-ethylhexanoic acid;1,1,3,3-tetramethylguanidine is C13H29N3O2.
What is the molecular weight of (2R)-2-ethylhexanoic acid;1,1,3,3-tetramethylguanidine?
The molecular weight of (2R)-2-ethylhexanoic acid;1,1,3,3-tetramethylguanidine is 259.23 g/mol.
Where can I buy (2R)-2-ethylhexanoic acid;1,1,3,3-tetramethylguanidine?
You can request a quote for (2R)-2-ethylhexanoic acid;1,1,3,3-tetramethylguanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2R)-2-ethylhexanoic acid;1,1,3,3-tetramethylguanidine?
Yes, KEHONG BIO provides custom synthesis services for (2R)-2-ethylhexanoic acid;1,1,3,3-tetramethylguanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.