RefChem:586397
TL;DR: RefChem:586397 (CAS 68003-28-1) is a chemical compound with molecular formula C24H30N6O4 and molecular weight 466.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6,9,18,21,24-hexazatricyclo[24.4.0.011,16]triaconta-1(30),11,13,15,26,28-hexaene-2,10,17,25-tetrone
Also Known As: 7,8,9,10,11,12,20,21,22,23,24,25-dodecahydrodibenzo[i,t][1,4,7,12,15,18]hexaazacyclodocosine-5,13,18,26(6h,19h)-tetrone, 1,3-Isobenzofurandione, reaction product with N-(2-aminoethyl)-1,2-ethanediamine, Dibenzo[i,t][1,4,7,12,15,18]hexaazacyclodocosine-5,13,18,26(6H,19H)-tetrone, 7,8,9,10,11,12,20,21,22,23,24,25-dodecahydro-, 7,8,9,10,11,12,20,21,22,23,24,25-Dodecahydrodibenzo[i,t][1,4,7,12,15,18]hexaazacyclodocosine-5,13,18,26(6H,19H)-tetraone, Dibenzo(i,t)(1,4,7,12,15,18)hexaazacyclodocosine-5,13,18,26(6H,19H)-tetrone, 7,8,9,10,11,12,20,21,22,23,24,25-dodecahydro-
| Molecular Formula | C24H30N6O4 |
|---|---|
| Molecular Weight | 466.23 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 466.23285 |
| Heavy Atoms | 34 |
| Complexity | 589.0 |
Chemical Identifiers
| CAS Number | 68003-28-1 |
|---|---|
| SMILES | C1CNC(=O)C2=CC=CC=C2C(=O)NCCNCCNC(=O)C3=CC=CC=C3C(=O)NCCN1 |
| InChIKey | IENBGFRUACWIIB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:586397 (CAS 68003-28-1), with molecular formula C24H30N6O4 and molecular weight 466.23 g/mol. IUPAC: 3,6,9,18,21,24-hexazatricyclo[24.4.0.011,16]triaconta-1(30),11,13,15,26,28-hexaene-2,10,17,25-tetrone.
Chemical Property Profile of RefChem:586397
Property Insights of RefChem:586397
The XLogP value of -0.4 indicates that RefChem:586397 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 140.0 Ų indicates high polarity, suggesting RefChem:586397 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:586397 has 6 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:586397?
The CAS number of RefChem:586397 is 68003-28-1.
What is the molecular formula of RefChem:586397?
The molecular formula of RefChem:586397 is C24H30N6O4.
What is the molecular weight of RefChem:586397?
The molecular weight of RefChem:586397 is 466.23 g/mol.
Where can I buy RefChem:586397?
You can request a quote for RefChem:586397 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:586397?
Yes, KEHONG BIO provides custom synthesis services for RefChem:586397 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.