Streptonigrin carboxamidoethanol
TL;DR: Streptonigrin carboxamidoethanol (CAS 99520-45-3) is a chemical compound with molecular formula C27H27N5O8 and molecular weight 549.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-6-(7-amino-6-methoxy-5,8-dioxoquinolin-2-yl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-N-(2-hydroxyethyl)-3-methylpyridine-2-carboxamide
Also Known As: Streptonigrin analog, STN-NHCH2CH20H, Streptonigrin carboxamidoethanol, 2-Pyridinecarboxamide, 5-amino-6-(7-amino-5,8-dihydro-6-methoxy-5,8-dioxo-2-quinolinyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-N-(2-hydroxyethyl)-3-methyl-, (4Z)-5-amino-6-(7-amino-6-methoxy-5,8-dioxoquinolin-2-yl)-4-(4,5-dimethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)-N-(2-hydroxyethyl)-3-methyl-1H-pyridine-2-carboxamide
| Molecular Formula | C27H27N5O8 |
|---|---|
| Molecular Weight | 549.19 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 209.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 549.186 |
| Heavy Atoms | 40 |
| Complexity | 994.0 |
Chemical Identifiers
| CAS Number | 99520-45-3 |
|---|---|
| SMILES | CC1=C(C(=C(N=C1C(=O)NCCO)C2=NC3=C(C=C2)C(=O)C(=C(C3=O)N)OC)N)C4=C(C(=C(C=C4)OC)OC)O |
| InChIKey | LUEPQQSLJCRYOG-UHFFFAOYSA-N |
Product Overview
Streptonigrin carboxamidoethanol (CAS 99520-45-3), with molecular formula C27H27N5O8 and molecular weight 549.19 g/mol. IUPAC: 5-amino-6-(7-amino-6-methoxy-5,8-dioxoquinolin-2-yl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-N-(2-hydroxyethyl)-3-methylpyridine-2-carboxamide.
Chemical Property Profile of Streptonigrin carboxamidoethanol
Property Insights of Streptonigrin carboxamidoethanol
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Streptonigrin carboxamidoethanol. The TPSA of 209.0 Ų indicates high polarity, suggesting Streptonigrin carboxamidoethanol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Streptonigrin carboxamidoethanol has 5 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 Streptonigrin carboxamidoethanol?
The CAS number of Streptonigrin carboxamidoethanol is 99520-45-3.
What is the molecular formula of Streptonigrin carboxamidoethanol?
The molecular formula of Streptonigrin carboxamidoethanol is C27H27N5O8.
What is the molecular weight of Streptonigrin carboxamidoethanol?
The molecular weight of Streptonigrin carboxamidoethanol is 549.19 g/mol.
Where can I buy Streptonigrin carboxamidoethanol?
You can request a quote for Streptonigrin carboxamidoethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Streptonigrin carboxamidoethanol?
Yes, KEHONG BIO provides custom synthesis services for Streptonigrin carboxamidoethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.