间甲酚紫
TL;DR: 间甲酚紫 (CAS 2303-01-7) 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.
间甲酚紫
4-[3-(4-hydroxy-2-methylphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-3-methylphenol
Also Known As: m-Cresol purple, Cresol purple, 3-Cresol purple, m-Cresolsulfonphthalein, Kresolpurpur
| 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 | 2303-01-7 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)O)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=C(C=C(C=C4)O)C |
| InChIKey | OLQIKGSZDTXODA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
间甲酚紫 (CAS 2303-01-7), with molecular formula C21H18O5S and molecular weight 382.09 g/mol. IUPAC: 4-[3-(4-hydroxy-2-methylphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-3-methylphenol.
Chemical Property Profile of 间甲酚紫
Property Insights of 间甲酚紫
The XLogP value of 3.7 indicates that 间甲酚紫 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 间甲酚紫. Following Lipinski's Rule of Five, 间甲酚紫 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 间甲酚紫?
The CAS number of 间甲酚紫 is 2303-01-7.
What is the molecular formula of 间甲酚紫?
The molecular formula of 间甲酚紫 is C21H18O5S.
What is the molecular weight of 间甲酚紫?
The molecular weight of 间甲酚紫 is 382.09 g/mol.
Where can I buy 间甲酚紫?
You can request a quote for 间甲酚紫 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 间甲酚紫?
Yes, KEHONG BIO provides custom synthesis services for 间甲酚紫 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.