蒽酮紫
TL;DR: 蒽酮紫 (CAS 116-71-2) is a chemical compound with molecular formula C34H16O2 and molecular weight 456.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
蒽酮紫
nonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(31),2,4,6,8,10,13,15,17,19,22,24,26,28(32),29,33-hexadecaene-12,21-dione
Also Known As: Violanthrone, Dibenzanthrone, Violanthrone A, Bianthrone A, Violanthrene N
| Molecular Formula | C34H16O2 |
|---|---|
| Molecular Weight | 456.12 g/mol |
| LogP | 8.0 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 456.11502 |
| Heavy Atoms | 36 |
| Complexity | 877.0 |
| Melting Point | 914 to 495.0 °C (decomposes) |
| Solubility | less than 1 mg/mL at 66 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 116-71-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C4C(=CC=C5C4=C(C=C3)C6=C7C5=CC=C8C7=C(C=C6)C9=CC=CC=C9C8=O)C2=O |
| InChIKey | YKSGNOMLAIJTLT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
蒽酮紫 (CAS 116-71-2), with molecular formula C34H16O2 and molecular weight 456.12 g/mol. IUPAC: nonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(31),2,4,6,8,10,13,15,17,19,22,24,26,28(32),29,33-hexadecaene-12,21-dione.
Chemical Property Profile of 蒽酮紫
Property Insights of 蒽酮紫
The XLogP value of 8.0 indicates that 蒽酮紫 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, 蒽酮紫 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 蒽酮紫 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 蒽酮紫?
The CAS number of 蒽酮紫 is 116-71-2.
What is the molecular formula of 蒽酮紫?
The molecular formula of 蒽酮紫 is C34H16O2.
What is the molecular weight of 蒽酮紫?
The molecular weight of 蒽酮紫 is 456.12 g/mol.
Where can I buy 蒽酮紫?
You can request a quote for 蒽酮紫 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 蒽酮紫?
Yes, KEHONG BIO provides custom synthesis services for 蒽酮紫 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.