骨螺紫
TL;DR: 骨螺紫 (CAS 1277170-99-6) is a chemical compound with molecular formula C16H8Br2N2O2 and molecular weight 417.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
骨螺紫
6-bromo-2-(6-bromo-3-hydroxy-1H-indol-2-yl)indol-3-one
Also Known As: Tyrian purple, 6,6-Dibromoindigo, 6,6'-Dibromoindigo, pourpre, 6,6'-Dibromindigo
| Molecular Formula | C16H8Br2N2O2 |
|---|---|
| Molecular Weight | 417.90 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 65.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 417.89526 |
| Heavy Atoms | 22 |
| Complexity | 512.0 |
Chemical Identifiers
| CAS Number | 1277170-99-6 |
|---|---|
| SMILES | C1=CC2=C(C=C1Br)NC(=C2O)C3=NC4=C(C3=O)C=CC(=C4)Br |
| InChIKey | UOZOCOQLYQNHII-UHFFFAOYSA-N |
Product Overview
骨螺紫 (CAS 1277170-99-6), with molecular formula C16H8Br2N2O2 and molecular weight 417.90 g/mol. IUPAC: 6-bromo-2-(6-bromo-3-hydroxy-1H-indol-2-yl)indol-3-one.
Chemical Property Profile of 骨螺紫
Property Insights of 骨螺紫
The XLogP value of 4.1 indicates that 骨螺紫 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 骨螺紫. Following Lipinski's Rule of Five, 骨螺紫 has 2 hydrogen bond donor(s) and 3 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 骨螺紫?
The CAS number of 骨螺紫 is 1277170-99-6.
What is the molecular formula of 骨螺紫?
The molecular formula of 骨螺紫 is C16H8Br2N2O2.
What is the molecular weight of 骨螺紫?
The molecular weight of 骨螺紫 is 417.90 g/mol.
Where can I buy 骨螺紫?
You can request a quote for 骨螺紫 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 骨螺紫?
Yes, KEHONG BIO provides custom synthesis services for 骨螺紫 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.