CI-680, (Z)-
TL;DR: CI-680, (Z)- (CAS 24136-29-6) is a chemical compound with molecular formula C32H36N2O11 and molecular weight 624.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxypropane-1,2,3-tricarboxylic acid;3-[4-[(Z)-1-(4-methoxyphenyl)-2-nitro-2-phenylethenyl]phenoxy]-N,N-dimethylpropan-1-amine
Also Known As: CI-680, (Z)-, 3-(p-(alpha-(p-Methoxyphenyl)beta-nitrostyryl)phenoxy)-N,N-dimethylpropylamine monocitrate, 2-hydroxypropane-1,2,3-tricarboxylic acid;3-[4-[(Z)-1-(4-methoxyphenyl)-2-nitro-2-phenylethenyl]phenoxy]-N,N-dimethylpropan-1-amine, alpha-(p-(3-(Dimethylamino)propoxy)phenyl)-alpha'-nitro-4-methoxystilbene monocitrates, (Z)-, 3-(4-(1-(4-Methoxyphenyl)-2-nitro-2-phenylethenyl)phenoxy)-N,N-dimethyl-1-propanamine, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
| Molecular Formula | C32H36N2O11 |
|---|---|
| Molecular Weight | 624.23 g/mol |
| LogP | 3.9705 |
| Topological Polar Surface Area | 196.97 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 15 |
| Exact Mass | 624.23193 |
| Heavy Atoms | 45 |
| Complexity | 1453.2174 |
Chemical Identifiers
| CAS Number | 24136-29-6 |
|---|---|
| SMILES | CN(C)CCCOC1=CC=C(C=C1)/C(=C(/C2=CC=CC=C2)\[N+](=O)[O-])/C3=CC=C(C=C3)OC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
Product Overview
CI-680, (Z)- (CAS 24136-29-6), with molecular formula C32H36N2O11 and molecular weight 624.23 g/mol. IUPAC: 2-hydroxypropane-1,2,3-tricarboxylic acid;3-[4-[(Z)-1-(4-methoxyphenyl)-2-nitro-2-phenylethenyl]phenoxy]-N,N-dimethylpropan-1-amine.
Chemical Property Profile of CI-680, (Z)-
Property Insights of CI-680, (Z)-
The XLogP value of 3.9705 indicates that CI-680, (Z)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 196.97 Ų indicates high polarity, suggesting CI-680, (Z)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CI-680, (Z)- has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CI-680, (Z)-?
The CAS number of CI-680, (Z)- is 24136-29-6.
What is the molecular formula of CI-680, (Z)-?
The molecular formula of CI-680, (Z)- is C32H36N2O11.
What is the molecular weight of CI-680, (Z)-?
The molecular weight of CI-680, (Z)- is 624.23 g/mol.
Where can I buy CI-680, (Z)-?
You can request a quote for CI-680, (Z)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CI-680, (Z)-?
Yes, KEHONG BIO provides custom synthesis services for CI-680, (Z)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.