THOS Streptonigrin
TL;DR: THOS Streptonigrin (CAS 15964-31-5) is a chemical compound with molecular formula C28H27N5O7 and molecular weight 545.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-4-(2-hydroxy-3,4-dimethoxyphenyl)-6-(5-hydroxy-4-methoxy-2,2-dimethylimidazo[4,5-h]quinolin-8-yl)-3-methylpyridine-2-carboxylic acid
Also Known As: THOS Streptonigrin, Imidazoquinoline, IPAS, Isopropylideneazastreptonigrin, Streptonigrin tetrahydrooxime
| Molecular Formula | C28H27N5O7 |
|---|---|
| Molecular Weight | 545.19 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 182.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 545.19104 |
| Heavy Atoms | 40 |
| Complexity | 1090.0 |
Chemical Identifiers
| CAS Number | 15964-31-5 |
|---|---|
| SMILES | CC1=C(C(=C(N=C1C(=O)O)C2=NC3=C(C=C2)C(=C(C4=NC(N=C34)(C)C)OC)O)N)C5=C(C(=C(C=C5)OC)OC)O |
| InChIKey | SQQXRXKYTKFFSM-UHFFFAOYSA-N |
Product Overview
THOS Streptonigrin (CAS 15964-31-5), with molecular formula C28H27N5O7 and molecular weight 545.19 g/mol. IUPAC: 5-amino-4-(2-hydroxy-3,4-dimethoxyphenyl)-6-(5-hydroxy-4-methoxy-2,2-dimethylimidazo[4,5-h]quinolin-8-yl)-3-methylpyridine-2-carboxylic acid.
Chemical Property Profile of THOS Streptonigrin
Property Insights of THOS Streptonigrin
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for THOS Streptonigrin. The TPSA of 182.0 Ų indicates high polarity, suggesting THOS Streptonigrin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, THOS Streptonigrin has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of THOS Streptonigrin?
The CAS number of THOS Streptonigrin is 15964-31-5.
What is the molecular formula of THOS Streptonigrin?
The molecular formula of THOS Streptonigrin is C28H27N5O7.
What is the molecular weight of THOS Streptonigrin?
The molecular weight of THOS Streptonigrin is 545.19 g/mol.
Where can I buy THOS Streptonigrin?
You can request a quote for THOS Streptonigrin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for THOS Streptonigrin?
Yes, KEHONG BIO provides custom synthesis services for THOS Streptonigrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.