RefChem:145668
TL;DR: RefChem:145668 (CAS 71550-34-0) is a chemical compound with molecular formula C48H40O6 and molecular weight 712.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(34-heptanoyloxy-12,21-dioxo-30-nonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(30),2(34),3(16),4(13),5(33),6,8,10,14,17(31),18,20(32),22,24,26,28-hexadecaenyl) heptanoate
Also Known As: 16,17-Dihydroxyviolanthrone diheptanoate, 16,17-Dihydroxydinaphtho(1,2,3-cd:3',2',1'-lm)perylene-5,10-dione, diheptanoate, Heptanoic acid, 5,10-dihydro-5,10-dioxoanthra(9,1,2-cde)benzo(rst)pentaphene-16,17-diyl ester, Heptanoic acid, 1,1'-(5,10-dihydro-5,10-dioxoanthra(9,1,2-cde)benzo(rst)pentaphene-16,17-diyl) ester, 5,10-Dihydro-5,10-dioxoanthra(9,1,2-cde)benzo(rst)pentaphene-16,17-diyl bisheptanoate
| Molecular Formula | C48H40O6 |
|---|---|
| Molecular Weight | 712.28 g/mol |
| LogP | 12.4 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 14 |
| Exact Mass | 712.2825 |
| Heavy Atoms | 54 |
| Complexity | 1300.0 |
Chemical Identifiers
| CAS Number | 71550-34-0 |
|---|---|
| SMILES | CCCCCCC(=O)OC1=C2C3=C(C=CC4=C3C(=C1)C5=CC=CC=C5C4=O)C6=C7C2=C(C=C8C7=C(C=C6)C(=O)C9=CC=CC=C98)OC(=O)CCCCCC |
| InChIKey | DPTMQBNDOLAEOQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:145668 (CAS 71550-34-0), with molecular formula C48H40O6 and molecular weight 712.28 g/mol. IUPAC: (34-heptanoyloxy-12,21-dioxo-30-nonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(30),2(34),3(16),4(13),5(33),6,8,10,14,17(31),18,20(32),22,24,26,28-hexadecaenyl) heptanoate.
Chemical Property Profile of RefChem:145668
Property Insights of RefChem:145668
The XLogP value of 12.4 indicates that RefChem:145668 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:145668. Following Lipinski's Rule of Five, RefChem:145668 has 0 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:145668?
The CAS number of RefChem:145668 is 71550-34-0.
What is the molecular formula of RefChem:145668?
The molecular formula of RefChem:145668 is C48H40O6.
What is the molecular weight of RefChem:145668?
The molecular weight of RefChem:145668 is 712.28 g/mol.
Where can I buy RefChem:145668?
You can request a quote for RefChem:145668 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:145668?
Yes, KEHONG BIO provides custom synthesis services for RefChem:145668 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.