Thormaehlen positive compound B
TL;DR: Thormaehlen positive compound B (CAS 5462-05-5) is a chemical compound with molecular formula C18H18N2O7S and molecular weight 406.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methoxy-1H-indol-6-ol;(6-methoxy-1H-indol-5-yl) hydrogen sulfate
Also Known As: TP Compound B, Thormaehlen positive compound B, 1H-Indol-5-ol, 6-methoxy-, (+-)-, 6-methoxy-1h-indol-5-yl hydrogen sulfate- 5-methoxy-1h-indol-6-ol(1:1), 5-methoxy-1H-indol-6-ol; (6-methoxy-1H-indol-5-yl) hydrogen sulfate
| Molecular Formula | C18H18N2O7S |
|---|---|
| Molecular Weight | 406.08 g/mol |
| LogP | 3.2402 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.08347 |
| Heavy Atoms | 28 |
| Complexity | 501.0 |
Chemical Identifiers
| CAS Number | 5462-05-5 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C=CN2)O.COC1=C(C=C2C=CNC2=C1)OS(=O)(=O)O |
| InChIKey | ITCUHGVMTDEMHT-UHFFFAOYSA-N |
Product Overview
Thormaehlen positive compound B (CAS 5462-05-5), with molecular formula C18H18N2O7S and molecular weight 406.08 g/mol. IUPAC: 5-methoxy-1H-indol-6-ol;(6-methoxy-1H-indol-5-yl) hydrogen sulfate.
Chemical Property Profile of Thormaehlen positive compound B
Property Insights of Thormaehlen positive compound B
The XLogP value of 3.2402 indicates that Thormaehlen positive compound B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.0 Ų indicates high polarity, suggesting Thormaehlen positive compound B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thormaehlen positive compound B has 4 hydrogen bond donor(s) and 7 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 Thormaehlen positive compound B?
The CAS number of Thormaehlen positive compound B is 5462-05-5.
What is the molecular formula of Thormaehlen positive compound B?
The molecular formula of Thormaehlen positive compound B is C18H18N2O7S.
What is the molecular weight of Thormaehlen positive compound B?
The molecular weight of Thormaehlen positive compound B is 406.08 g/mol.
Where can I buy Thormaehlen positive compound B?
You can request a quote for Thormaehlen positive compound B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thormaehlen positive compound B?
Yes, KEHONG BIO provides custom synthesis services for Thormaehlen positive compound B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.