卷曲霉素
TL;DR: 卷曲霉素 (CAS 11003-38-6) is a chemical compound with molecular formula C25H44N14O8 and molecular weight 668.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
Also Known As: capreomycin, Capreomycin sulfate, CAPREOMYCIN IA, Spectrum2_000061, Spectrum3_000323
| Molecular Formula | C25H44N14O8 |
|---|---|
| Molecular Weight | 668.35 g/mol |
| LogP | -7.2 |
| Topological Polar Surface Area | 378.0 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 10 |
| Exact Mass | 668.3467 |
| Heavy Atoms | 47 |
| Complexity | 1240.0 |
Chemical Identifiers
| CAS Number | 11003-38-6 |
|---|---|
| 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 |
| InChIKey | JNIIDKODPGHQSS-UHFFFAOYSA-N |
Product Overview
卷曲霉素 (CAS 11003-38-6), with molecular formula C25H44N14O8 and molecular weight 668.35 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.
Chemical Property Profile of 卷曲霉素
Property Insights of 卷曲霉素
The XLogP value of -7.2 indicates that 卷曲霉素 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 378.0 Ų indicates high polarity, suggesting 卷曲霉素 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 卷曲霉素 has 14 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 卷曲霉素?
The CAS number of 卷曲霉素 is 11003-38-6.
What is the molecular formula of 卷曲霉素?
The molecular formula of 卷曲霉素 is C25H44N14O8.
What is the molecular weight of 卷曲霉素?
The molecular weight of 卷曲霉素 is 668.35 g/mol.
Where can I buy 卷曲霉素?
You can request a quote for 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 卷曲霉素?
Yes, KEHONG BIO provides custom synthesis services for 卷曲霉素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.