Neopluramycin hydrochloride
TL;DR: Neopluramycin hydrochloride (CAS 11081-47-3) is a chemical compound with molecular formula C41H51ClN2O10 and molecular weight 766.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-[2-[(E)-but-2-en-2-yl]-8-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-11-hydroxy-5-methyl-4,7,12-trioxonaphtho[2,3-h]chromen-10-yl]-4-(dimethylamino)-2,4-dimethyloxan-3-yl] acetate;hydrochloride
Also Known As: Neopluramycin, Neopluramycin hydrochloride, [6-[2-[(E)-but-2-en-2-yl]-8-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-11-hydroxy-5-methyl-4,7,12-trioxonaphtho[2,3-h]chromen-10-yl]-4-(dimethylamino)-2,4-dimethyloxan-3-yl] acetate hydrochloride, 4H-Anthra(1,2-b)pyran-4,7,12-trione, 10-(4-O-acetyl-2,3,6-trideoxy-3-(dimethylamino)-3-C-methyl-alpha-L-lyxo-hexopyranosyl)-11-hydroxy-5-methyl-2-(1-methyl-1-propenyl)-8-(2,3,6-trideoxy-3-(dimethylamino)-beta-D-arabino-hexopyranosyl)-, (E)-
| Molecular Formula | C41H51ClN2O10 |
|---|---|
| Molecular Weight | 766.32 g/mol |
| LogP | 5.67032 |
| Topological Polar Surface Area | 156.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 766.32324 |
| Heavy Atoms | 54 |
| Complexity | 2122.7654 |
Chemical Identifiers
| CAS Number | 11081-47-3 |
|---|---|
| SMILES | C/C=C(\C)/C1=CC(=O)C2=C(O1)C3=C(C=C2C)C(=O)C4=C(C3=O)C(=C(C=C4C5CC(C(C(O5)C)O)N(C)C)C6CC(C(C(O6)C)OC(=O)C)(C)N(C)C)O.Cl |
Product Overview
Neopluramycin hydrochloride (CAS 11081-47-3), with molecular formula C41H51ClN2O10 and molecular weight 766.32 g/mol. IUPAC: [6-[2-[(E)-but-2-en-2-yl]-8-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-11-hydroxy-5-methyl-4,7,12-trioxonaphtho[2,3-h]chromen-10-yl]-4-(dimethylamino)-2,4-dimethyloxan-3-yl] acetate;hydrochloride.
Chemical Property Profile of Neopluramycin hydrochloride
Property Insights of Neopluramycin hydrochloride
The XLogP value of 5.67032 indicates that Neopluramycin hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 156.05 Ų indicates high polarity, suggesting Neopluramycin hydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Neopluramycin hydrochloride has 2 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 Neopluramycin hydrochloride?
The CAS number of Neopluramycin hydrochloride is 11081-47-3.
What is the molecular formula of Neopluramycin hydrochloride?
The molecular formula of Neopluramycin hydrochloride is C41H51ClN2O10.
What is the molecular weight of Neopluramycin hydrochloride?
The molecular weight of Neopluramycin hydrochloride is 766.32 g/mol.
Where can I buy Neopluramycin hydrochloride?
You can request a quote for Neopluramycin hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neopluramycin hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Neopluramycin hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.