C26H30N2O2.1/2C4H6O6
TL;DR: C26H30N2O2.1/2C4H6O6 (CAS 87429-93-4) is a chemical compound with molecular formula C56H66N4O10 and molecular weight 954.48 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(4-[(1R,2R)-2-(4-benzhydrylpiperazin-1-yl)-1-hydroxypropyl]phenol);(2R,3R)-2,3-dihydroxybutanedioic acid
Also Known As: C26H30N2O2.1/2C4H6O6, 1-Piperazineethanol, 4-(diphenylmethyl)-alpha-(4-hydroxyphenyl)-beta-methyl-, (R*,R*)-(+-)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:1) (salt), dl-erythro-2-(4-Diphenylmethylpiperazinyl)-1-(4-hydroxyphenyl)propanol semitartrate, C26-H30-N2-O2.1/2C4-H6-O6, (2R,3R)-2,3-Dihydroxybutanedioic acid--4-{(1R,2R)-2-[4-(diphenylmethyl)piperazin-1-yl]-1-hydroxypropyl}phenol (1/2)
| Molecular Formula | C56H66N4O10 |
|---|---|
| Molecular Weight | 954.48 g/mol |
| LogP | 6.32 |
| Topological Polar Surface Area | 208.94 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 15 |
| Exact Mass | 954.4779 |
| Heavy Atoms | 70 |
| Complexity | 2202.9507 |
Chemical Identifiers
| CAS Number | 87429-93-4 |
|---|---|
| SMILES | C[C@H]([C@@H](C1=CC=C(C=C1)O)O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4.C[C@H]([C@@H](C1=CC=C(C=C1)O)O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O |
Product Overview
C26H30N2O2.1/2C4H6O6 (CAS 87429-93-4), with molecular formula C56H66N4O10 and molecular weight 954.48 g/mol. IUPAC: bis(4-[(1R,2R)-2-(4-benzhydrylpiperazin-1-yl)-1-hydroxypropyl]phenol);(2R,3R)-2,3-dihydroxybutanedioic acid.
Chemical Property Profile of C26H30N2O2.1/2C4H6O6
Property Insights of C26H30N2O2.1/2C4H6O6
The XLogP value of 6.32 indicates that C26H30N2O2.1/2C4H6O6 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 208.94 Ų indicates high polarity, suggesting C26H30N2O2.1/2C4H6O6 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C26H30N2O2.1/2C4H6O6 has 8 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C26H30N2O2.1/2C4H6O6?
The CAS number of C26H30N2O2.1/2C4H6O6 is 87429-93-4.
What is the molecular formula of C26H30N2O2.1/2C4H6O6?
The molecular formula of C26H30N2O2.1/2C4H6O6 is C56H66N4O10.
What is the molecular weight of C26H30N2O2.1/2C4H6O6?
The molecular weight of C26H30N2O2.1/2C4H6O6 is 954.48 g/mol.
Where can I buy C26H30N2O2.1/2C4H6O6?
You can request a quote for C26H30N2O2.1/2C4H6O6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C26H30N2O2.1/2C4H6O6?
Yes, KEHONG BIO provides custom synthesis services for C26H30N2O2.1/2C4H6O6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.