Methyl streptonigrin
TL;DR: Methyl streptonigrin (CAS 3398-48-9) is a chemical compound with molecular formula C26H24N4O8 and molecular weight 520.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-amino-6-(7-amino-6-methoxy-5,8-dioxoquinolin-2-yl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methylpyridine-2-carboxylate
Also Known As: Methyl streptonigrin, streptonigrin, STREPTONIGRIN METHYL ESTER, Methyl ester streptonigrin, MES (VAN)
| Molecular Formula | C26H24N4O8 |
|---|---|
| Molecular Weight | 520.16 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 186.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 520.1594 |
| Heavy Atoms | 38 |
| Complexity | 960.0 |
Chemical Identifiers
| CAS Number | 3398-48-9 |
|---|---|
| SMILES | CC1=C(C(=C(N=C1C(=O)OC)C2=NC3=C(C=C2)C(=O)C(=C(C3=O)N)OC)N)C4=C(C(=C(C=C4)OC)OC)O |
| InChIKey | HKZHTIOXLTVSKR-UHFFFAOYSA-N |
Product Overview
Methyl streptonigrin (CAS 3398-48-9), with molecular formula C26H24N4O8 and molecular weight 520.16 g/mol. IUPAC: methyl 5-amino-6-(7-amino-6-methoxy-5,8-dioxoquinolin-2-yl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methylpyridine-2-carboxylate.
Chemical Property Profile of Methyl streptonigrin
Property Insights of Methyl streptonigrin
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl streptonigrin. The TPSA of 186.0 Ų indicates high polarity, suggesting Methyl streptonigrin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methyl streptonigrin has 3 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 Methyl streptonigrin?
The CAS number of Methyl streptonigrin is 3398-48-9.
What is the molecular formula of Methyl streptonigrin?
The molecular formula of Methyl streptonigrin is C26H24N4O8.
What is the molecular weight of Methyl streptonigrin?
The molecular weight of Methyl streptonigrin is 520.16 g/mol.
Where can I buy Methyl streptonigrin?
You can request a quote for Methyl streptonigrin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl streptonigrin?
Yes, KEHONG BIO provides custom synthesis services for Methyl streptonigrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.