Chelidimerine
TL;DR: Chelidimerine (CAS 51244-45-2) is a chemical compound with molecular formula C43H32N2O9 and molecular weight 720.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(23S)-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaen-23-yl]-3-(24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaen-23-yl)propan-2-one
Also Known As: Chelidimerine, KST-1B4645, 1,3-Bis(11-hydrosanquinarinyl)acetone, Phosphorane,(3-methylbutylidene)triphenyl, 1-[(14s)-13-methyl-13,14-dihydro[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-14-yl]-3-(13-methyl-13,14-dihydro[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-14-yl)propan-2-one
| Molecular Formula | C43H32N2O9 |
|---|---|
| Molecular Weight | 720.21 g/mol |
| LogP | 7.7 |
| Topological Polar Surface Area | 97.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 720.21075 |
| Heavy Atoms | 54 |
| Complexity | 1330.0 |
Chemical Identifiers
| CAS Number | 51244-45-2 |
|---|---|
| SMILES | CN1[C@H](C2=C(C=CC3=C2OCO3)C4=C1C5=CC6=C(C=C5C=C4)OCO6)CC(=O)CC7C8=C(C=CC9=C8OCO9)C1=C(N7C)C2=CC3=C(C=C2C=C1)OCO3 |
| InChIKey | NIQFOSSBJJDEES-FSRLHOSWSA-N |
Product Overview
Chelidimerine (CAS 51244-45-2), with molecular formula C43H32N2O9 and molecular weight 720.21 g/mol. IUPAC: 1-[(23S)-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaen-23-yl]-3-(24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaen-23-yl)propan-2-one.
Chemical Property Profile of Chelidimerine
Property Insights of Chelidimerine
The XLogP value of 7.7 indicates that Chelidimerine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Chelidimerine. Following Lipinski's Rule of Five, Chelidimerine has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Chelidimerine?
The CAS number of Chelidimerine is 51244-45-2.
What is the molecular formula of Chelidimerine?
The molecular formula of Chelidimerine is C43H32N2O9.
What is the molecular weight of Chelidimerine?
The molecular weight of Chelidimerine is 720.21 g/mol.
Where can I buy Chelidimerine?
You can request a quote for Chelidimerine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chelidimerine?
Yes, KEHONG BIO provides custom synthesis services for Chelidimerine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.