硫酸布鲁霉素
TL;DR: 硫酸布鲁霉素 (CAS 42514-64-7) is a chemical compound with molecular formula C21H39N5O18S-2 and molecular weight 681.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硫酸布鲁霉素
[5-(diaminomethylideneamino)-2-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl]oxy-3,4,6-trihydroxycyclohexyl] carbamate sulfate
Also Known As: Bluensomycin sulfate, DIETHYLAMINE, 2,2'-DICHLORO-N-BUTYL-, D-scyllo-Inositol, O-2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl-(1-2)-O-5-deoxy-3-C-(hydroxymethyl)-alpha-L-lyxofuranosyl-(1-4)-1-((aminoiminomethyl)amino)-1-deoxy-, 5-carbamate, sulfate (salt), O-2-Deoxy-2-(methylamino)-alpha-L-glucopyranosyl-(1-2)-O-5-deoxy-3-C-(hydroxymethyl)-alpha-L-lyxofuranosyl-(1-4)-1-((aminoiminomethyl)amino)-1-deoxy-D-scyllo-inositol 5-carbamate, sulfate (salt), [5-(diaminomethylideneamino)-2-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl]oxy-3,4,6-trihydroxycyclohexyl] carbamate sulfate
| Molecular Formula | C21H39N5O18S-2 |
|---|---|
| Molecular Weight | 681.20 g/mol |
| LogP | -8.8838 |
| Topological Polar Surface Area | 416.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 10 |
| Exact Mass | 681.2011 |
| Heavy Atoms | 45 |
| Complexity | 962.0 |
Chemical Identifiers
| CAS Number | 42514-64-7 |
|---|---|
| SMILES | CC1C(C(C(O1)OC2C(C(C(C(C2OC(=O)N)O)N=C(N)N)O)O)OC3C(C(C(C(O3)CO)O)O)NC)(CO)O.[O-]S(=O)(=O)[O-] |
| InChIKey | DSBSBUBHCRTXOA-UHFFFAOYSA-L |
Product Overview
硫酸布鲁霉素 (CAS 42514-64-7), with molecular formula C21H39N5O18S-2 and molecular weight 681.20 g/mol. IUPAC: [5-(diaminomethylideneamino)-2-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl]oxy-3,4,6-trihydroxycyclohexyl] carbamate sulfate.
Chemical Property Profile of 硫酸布鲁霉素
Property Insights of 硫酸布鲁霉素
The XLogP value of -8.8838 indicates that 硫酸布鲁霉素 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 416.0 Ų indicates high polarity, suggesting 硫酸布鲁霉素 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 硫酸布鲁霉素 has 12 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 硫酸布鲁霉素?
The CAS number of 硫酸布鲁霉素 is 42514-64-7.
What is the molecular formula of 硫酸布鲁霉素?
The molecular formula of 硫酸布鲁霉素 is C21H39N5O18S-2.
What is the molecular weight of 硫酸布鲁霉素?
The molecular weight of 硫酸布鲁霉素 is 681.20 g/mol.
Where can I buy 硫酸布鲁霉素?
You can request a quote for 硫酸布鲁霉素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硫酸布鲁霉素?
Yes, KEHONG BIO provides custom synthesis services for 硫酸布鲁霉素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.