C9H17NO5.C4H6N4O3.1/2Ca
TL;DR: C9H17NO5.C4H6N4O3.1/2Ca (CAS 5899-45-6) is a chemical compound with molecular formula C26H44CaN10O16 and molecular weight 792.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium;bis(3-[[(2S)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoate);bis((2,5-dioxoimidazolidin-4-yl)urea)
Also Known As: C9H17NO5.C4H6N4O3.1/2Ca, C9-H17-N-O5.C4-H6-N4-O3.1/2Ca, beta-Alanine, N-((2S)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, calcium salt, compd. with (2,5-dioxo-4-imidazolidinyl)urea (2:1:2), beta-Alanine, N-((2S)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, calcium salt, compd. with N-(2,5-dioxo-4-imidazolidinyl)urea (2:1:2), .beta.-Alanine, N-(2,4-dihydroxy-3,3-dimethylbutyryl)-, calcium salt (2:1), compd. with (2,5-dioxo-4-imidazolidinyl)urea (1:2)
| Molecular Formula | C26H44CaN10O16 |
|---|---|
| Molecular Weight | 792.26 g/mol |
| LogP | -9.4964 |
| Topological Polar Surface Area | 446.02 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 14 |
| Exact Mass | 792.2563 |
| Heavy Atoms | 53 |
| Complexity | 1234.6322 |
Chemical Identifiers
| CAS Number | 5899-45-6 |
|---|---|
| SMILES | CC(C)(CO)[C@@H](C(=O)NCCC(=O)[O-])O.CC(C)(CO)[C@@H](C(=O)NCCC(=O)[O-])O.C1(C(=O)NC(=O)N1)NC(=O)N.C1(C(=O)NC(=O)N1)NC(=O)N.[Ca+2] |
Product Overview
C9H17NO5.C4H6N4O3.1/2Ca (CAS 5899-45-6), with molecular formula C26H44CaN10O16 and molecular weight 792.26 g/mol. IUPAC: calcium;bis(3-[[(2S)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoate);bis((2,5-dioxoimidazolidin-4-yl)urea).
Chemical Property Profile of C9H17NO5.C4H6N4O3.1/2Ca
Property Insights of C9H17NO5.C4H6N4O3.1/2Ca
The XLogP value of -9.4964 indicates that C9H17NO5.C4H6N4O3.1/2Ca is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 446.02 Ų indicates high polarity, suggesting C9H17NO5.C4H6N4O3.1/2Ca may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C9H17NO5.C4H6N4O3.1/2Ca has 14 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C9H17NO5.C4H6N4O3.1/2Ca?
The CAS number of C9H17NO5.C4H6N4O3.1/2Ca is 5899-45-6.
What is the molecular formula of C9H17NO5.C4H6N4O3.1/2Ca?
The molecular formula of C9H17NO5.C4H6N4O3.1/2Ca is C26H44CaN10O16.
What is the molecular weight of C9H17NO5.C4H6N4O3.1/2Ca?
The molecular weight of C9H17NO5.C4H6N4O3.1/2Ca is 792.26 g/mol.
Where can I buy C9H17NO5.C4H6N4O3.1/2Ca?
You can request a quote for C9H17NO5.C4H6N4O3.1/2Ca directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C9H17NO5.C4H6N4O3.1/2Ca?
Yes, KEHONG BIO provides custom synthesis services for C9H17NO5.C4H6N4O3.1/2Ca and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.