滅瘟素
TL;DR: 滅瘟素 (CAS 2079-00-7) is a chemical compound with molecular formula C17H26N8O5 and molecular weight 422.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
滅瘟素
3-[[3-amino-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid
Also Known As: Blasticidin S, Blastizidin, blasticidin-S, Bla-S, TOA bla-S
| Molecular Formula | C17H26N8O5 |
|---|---|
| Molecular Weight | 422.20 g/mol |
| LogP | -5.2 |
| Topological Polar Surface Area | 213.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 422.2026 |
| Heavy Atoms | 30 |
| Complexity | 795.0 |
Chemical Identifiers
| CAS Number | 2079-00-7 |
|---|---|
| SMILES | CN(CCC(CC(=O)NC1C=CC(OC1C(=O)O)N2C=CC(=NC2=O)N)N)C(=N)N |
| InChIKey | CXNPLSGKWMLZPZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
滅瘟素 (CAS 2079-00-7), with molecular formula C17H26N8O5 and molecular weight 422.20 g/mol. IUPAC: 3-[[3-amino-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid.
Chemical Property Profile of 滅瘟素
Property Insights of 滅瘟素
The XLogP value of -5.2 indicates that 滅瘟素 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 213.0 Ų indicates high polarity, suggesting 滅瘟素 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 滅瘟素 has 6 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 滅瘟素?
The CAS number of 滅瘟素 is 2079-00-7.
What is the molecular formula of 滅瘟素?
The molecular formula of 滅瘟素 is C17H26N8O5.
What is the molecular weight of 滅瘟素?
The molecular weight of 滅瘟素 is 422.20 g/mol.
Where can I buy 滅瘟素?
You can request a quote for 滅瘟素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 滅瘟素?
Yes, KEHONG BIO provides custom synthesis services for 滅瘟素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.