硫酸卷曲霉素
TL;DR: 硫酸卷曲霉素 (CAS 1405-37-4) is a chemical compound with molecular formula C25H46N14O12S and molecular weight 766.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硫酸卷曲霉素
3,6-diamino-N-[[15-amino-11-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-8-[(carbamoylamino)methylidene]-2-(hydroxymethyl)-3,6,9,12,16-pentaoxo-1,4,7,10,13-pentazacyclohexadec-5-yl]methyl]hexanamide;sulfuric acid
Also Known As: Capreomycin sulfate, 3,6-diamino-N-{[(8Z)-15-amino-8-[(carbamoylamino)methylidene]-2-(hydroxymethyl)-11-(2-imino-1,3-diazinan-4-yl)-3,6,9,12,16-pentaoxo-1,4,7,10,13-pentaazacyclohexadecan-5-yl]methyl}hexanamide; sulfuric acid
| Molecular Formula | C25H46N14O12S |
|---|---|
| Molecular Weight | 766.31 g/mol |
| LogP | -8.89 |
| Topological Polar Surface Area | 461.0 Ų |
| Hydrogen Bond Donors | 16 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 10 |
| Exact Mass | 766.314 |
| Heavy Atoms | 52 |
| Complexity | 1330.0 |
Chemical Identifiers
| CAS Number | 1405-37-4 |
|---|---|
| SMILES | C1CN=C(NC1C2C(=O)NCC(C(=O)NC(C(=O)NC(C(=O)NC(=CNC(=O)N)C(=O)N2)CNC(=O)CC(CCCN)N)CO)N)N.OS(=O)(=O)O |
| InChIKey | AJQVUIHGEOLMDY-UHFFFAOYSA-N |
Product Overview
硫酸卷曲霉素 (CAS 1405-37-4), with molecular formula C25H46N14O12S and molecular weight 766.31 g/mol. IUPAC: 3,6-diamino-N-[[15-amino-11-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-8-[(carbamoylamino)methylidene]-2-(hydroxymethyl)-3,6,9,12,16-pentaoxo-1,4,7,10,13-pentazacyclohexadec-5-yl]methyl]hexanamide;sulfuric acid.
Chemical Property Profile of 硫酸卷曲霉素
Property Insights of 硫酸卷曲霉素
The XLogP value of -8.89 indicates that 硫酸卷曲霉素 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 461.0 Ų indicates high polarity, suggesting 硫酸卷曲霉素 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 硫酸卷曲霉素 has 16 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 硫酸卷曲霉素?
The CAS number of 硫酸卷曲霉素 is 1405-37-4.
What is the molecular formula of 硫酸卷曲霉素?
The molecular formula of 硫酸卷曲霉素 is C25H46N14O12S.
What is the molecular weight of 硫酸卷曲霉素?
The molecular weight of 硫酸卷曲霉素 is 766.31 g/mol.
Where can I buy 硫酸卷曲霉素?
You can request a quote for 硫酸卷曲霉素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硫酸卷曲霉素?
Yes, KEHONG BIO provides custom synthesis services for 硫酸卷曲霉素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.