甲酚紅
TL;DR: 甲酚紅 (CAS 1733-12-6) is a chemical compound with molecular formula C21H18O5S and molecular weight 382.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甲酚紅
4-[3-(4-hydroxy-3-methylphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-2-methylphenol
Also Known As: Cresol red, o-Cresol Red, o-Cresolsulfonphthalein, Cresolsulfophthalein, o-Cresolsulfonephthalein
| Molecular Formula | C21H18O5S |
|---|---|
| Molecular Weight | 382.09 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 92.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 382.0875 |
| Heavy Atoms | 27 |
| Complexity | 615.0 |
Chemical Identifiers
| CAS Number | 1733-12-6 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C=C4)O)C)O |
| InChIKey | OBRMNDMBJQTZHV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
甲酚紅 (CAS 1733-12-6), with molecular formula C21H18O5S and molecular weight 382.09 g/mol. IUPAC: 4-[3-(4-hydroxy-3-methylphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-2-methylphenol.
Chemical Property Profile of 甲酚紅
Property Insights of 甲酚紅
The XLogP value of 3.7 indicates that 甲酚紅 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 甲酚紅. Following Lipinski's Rule of Five, 甲酚紅 has 2 hydrogen bond donor(s) and 5 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 甲酚紅?
The CAS number of 甲酚紅 is 1733-12-6.
What is the molecular formula of 甲酚紅?
The molecular formula of 甲酚紅 is C21H18O5S.
What is the molecular weight of 甲酚紅?
The molecular weight of 甲酚紅 is 382.09 g/mol.
Where can I buy 甲酚紅?
You can request a quote for 甲酚紅 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甲酚紅?
Yes, KEHONG BIO provides custom synthesis services for 甲酚紅 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.