靛酚
TL;DR: 靛酚 (CAS 500-85-6) is a chemical compound with molecular formula C12H9NO2 and molecular weight 199.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
靛酚
4-(4-hydroxyphenyl)iminocyclohexa-2,5-dien-1-one
Also Known As: Phenolindophenol, Benzenoneindophenol, phenol-indophenol, 4-((4-Hydroxyphenyl)imino)cyclohexa-2,5-dienone, Sodium Benzenoneindophenol
| Molecular Formula | C12H9NO2 |
|---|---|
| Molecular Weight | 199.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 199.06332 |
| Heavy Atoms | 15 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 500-85-6 |
|---|---|
| SMILES | C1=CC(=O)C=CC1=NC2=CC=C(C=C2)O |
| InChIKey | RSAZYXZUJROYKR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
靛酚 (CAS 500-85-6), with molecular formula C12H9NO2 and molecular weight 199.06 g/mol. IUPAC: 4-(4-hydroxyphenyl)iminocyclohexa-2,5-dien-1-one.
Chemical Property Profile of 靛酚
Property Insights of 靛酚
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 靛酚. With a topological polar surface area (TPSA) of 49.7 Ų, 靛酚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 靛酚 has 1 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 靛酚?
The CAS number of 靛酚 is 500-85-6.
What is the molecular formula of 靛酚?
The molecular formula of 靛酚 is C12H9NO2.
What is the molecular weight of 靛酚?
The molecular weight of 靛酚 is 199.06 g/mol.
Where can I buy 靛酚?
You can request a quote for 靛酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 靛酚?
Yes, KEHONG BIO provides custom synthesis services for 靛酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.