C12H28N2O2.2C2HO4
TL;DR: C12H28N2O2.2C2HO4 (CAS 86887-37-8) is a chemical compound with molecular formula C16H30N2O10 and molecular weight 410.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S)-1-carboxy-5-(trimethylazaniumyl)pentyl]-trimethylazanium;bis(2-hydroxy-2-oxoacetate)
Also Known As: 1,5-Pentanediaminium, 1-carboxy-N,N,N,N',N',N'-hexamethyl-, (S)-,ethanedioate (1:2), (1S)-1-Carboxy-N~1~,N~1~,N~1~,N~5~,N~5~,N~5~-hexamethylpentane-1,5-bis(aminium) bis(hydrogen ethanedioate)
| Molecular Formula | C16H30N2O10 |
|---|---|
| Molecular Weight | 410.19 g/mol |
| LogP | -3.3359 |
| Topological Polar Surface Area | 192.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 410.19003 |
| Heavy Atoms | 28 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 86887-37-8 |
|---|---|
| SMILES | C[N+](C)(C)CCCC[C@@H](C(=O)O)[N+](C)(C)C.C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O |
| InChIKey | MWIIHMVQQAXTAT-IDMXKUIJSA-M |
Product Overview
C12H28N2O2.2C2HO4 (CAS 86887-37-8), with molecular formula C16H30N2O10 and molecular weight 410.19 g/mol. IUPAC: [(1S)-1-carboxy-5-(trimethylazaniumyl)pentyl]-trimethylazanium;bis(2-hydroxy-2-oxoacetate).
Chemical Property Profile of C12H28N2O2.2C2HO4
Property Insights of C12H28N2O2.2C2HO4
The XLogP value of -3.3359 indicates that C12H28N2O2.2C2HO4 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 192.0 Ų indicates high polarity, suggesting C12H28N2O2.2C2HO4 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C12H28N2O2.2C2HO4 has 3 hydrogen bond donor(s) and 10 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 C12H28N2O2.2C2HO4?
The CAS number of C12H28N2O2.2C2HO4 is 86887-37-8.
What is the molecular formula of C12H28N2O2.2C2HO4?
The molecular formula of C12H28N2O2.2C2HO4 is C16H30N2O10.
What is the molecular weight of C12H28N2O2.2C2HO4?
The molecular weight of C12H28N2O2.2C2HO4 is 410.19 g/mol.
Where can I buy C12H28N2O2.2C2HO4?
You can request a quote for C12H28N2O2.2C2HO4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C12H28N2O2.2C2HO4?
Yes, KEHONG BIO provides custom synthesis services for C12H28N2O2.2C2HO4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.