RefChem:437195
TL;DR: RefChem:437195 (CAS 72138-96-6) is a chemical compound with molecular formula C45H22N2O5 and molecular weight 670.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(9,10-dioxoanthracen-1-yl)amino]-16-azaoctacyclo[18.10.2.02,15.05,14.07,12.017,31.021,26.028,32]dotriaconta-1(31),2(15),3,5(14),7(12),8,10,17,19,21,23,25,28(32),29-tetradecaene-6,13,27-trione
Also Known As: EINECS 276-361-5, Anthra[2,1,9-mna]naphth[2,3-h]acridine-5,10,15(16H)-trione, 11-[(9,10-dihydro-9,10-dioxo-1-anthracenyl)amino]-, 11-(ANTHRAQUINON-1-YLAMINO)ANTHRA[2,1,9-MNA]NAPHTH[2,3-H]ACRIDINE-5,10,15(16H)-TRIONE, Anthra(2,1,9-mna)naphth(2,3-h)acridine-5,10,15(16H)-trione, 11-((9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)-, 11- anthra[2,1,9-mna]naphth[2,3-h]acridine-5,10,15 -trione
| Molecular Formula | C45H22N2O5 |
|---|---|
| Molecular Weight | 670.15 g/mol |
| LogP | 8.8731 |
| Topological Polar Surface Area | 113.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 670.1529 |
| Heavy Atoms | 52 |
| Complexity | 3262.0178 |
Chemical Identifiers
| CAS Number | 72138-96-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=CC=C4C5=C(C=CC(=C35)C2=O)C6=C(N4)C7=C(C=C6)C(=O)C8=C(C7=O)C=CC=C8NC9=CC=CC1=C9C(=O)C2=CC=CC=C2C1=O |
Product Overview
RefChem:437195 (CAS 72138-96-6), with molecular formula C45H22N2O5 and molecular weight 670.15 g/mol. IUPAC: 8-[(9,10-dioxoanthracen-1-yl)amino]-16-azaoctacyclo[18.10.2.02,15.05,14.07,12.017,31.021,26.028,32]dotriaconta-1(31),2(15),3,5(14),7(12),8,10,17,19,21,23,25,28(32),29-tetradecaene-6,13,27-trione.
Chemical Property Profile of RefChem:437195
Property Insights of RefChem:437195
The XLogP value of 8.8731 indicates that RefChem:437195 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.17 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:437195. Following Lipinski's Rule of Five, RefChem:437195 has 2 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:437195?
The CAS number of RefChem:437195 is 72138-96-6.
What is the molecular formula of RefChem:437195?
The molecular formula of RefChem:437195 is C45H22N2O5.
What is the molecular weight of RefChem:437195?
The molecular weight of RefChem:437195 is 670.15 g/mol.
Where can I buy RefChem:437195?
You can request a quote for RefChem:437195 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:437195?
Yes, KEHONG BIO provides custom synthesis services for RefChem:437195 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.