阴丹士林
TL;DR: 阴丹士林 (CAS 81-77-6) is a chemical compound with molecular formula C28H14N2O4 and molecular weight 442.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
阴丹士林
2,17-diazaheptacyclo[16.12.0.03,16.04,13.06,11.019,28.021,26]triaconta-1(18),3(16),4(13),6,8,10,14,19(28),21,23,25,29-dodecaene-5,12,20,27-tetrone
Also Known As: Indanthrone, Indanthrene, Pigment Blue 60, Vat blue 4, Medium Blue
| Molecular Formula | C28H14N2O4 |
|---|---|
| Molecular Weight | 442.10 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 92.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 442.09537 |
| Heavy Atoms | 34 |
| Complexity | 857.0 |
| Melting Point | 878 to 500.0 °C (decomposes) |
| Solubility | less than 1 mg/mL at 70 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 81-77-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C4=C(C=C3)NC5=C(N4)C=CC6=C5C(=O)C7=CC=CC=C7C6=O |
| InChIKey | UHOKSCJSTAHBSO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
阴丹士林 (CAS 81-77-6), with molecular formula C28H14N2O4 and molecular weight 442.10 g/mol. IUPAC: 2,17-diazaheptacyclo[16.12.0.03,16.04,13.06,11.019,28.021,26]triaconta-1(18),3(16),4(13),6,8,10,14,19(28),21,23,25,29-dodecaene-5,12,20,27-tetrone.
Chemical Property Profile of 阴丹士林
Property Insights of 阴丹士林
The XLogP value of 4.9 indicates that 阴丹士林 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 阴丹士林. Following Lipinski's Rule of Five, 阴丹士林 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 阴丹士林?
The CAS number of 阴丹士林 is 81-77-6.
What is the molecular formula of 阴丹士林?
The molecular formula of 阴丹士林 is C28H14N2O4.
What is the molecular weight of 阴丹士林?
The molecular weight of 阴丹士林 is 442.10 g/mol.
Where can I buy 阴丹士林?
You can request a quote for 阴丹士林 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 阴丹士林?
Yes, KEHONG BIO provides custom synthesis services for 阴丹士林 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.