N,N-Dimethylpradimicin E
TL;DR: N,N-Dimethylpradimicin E (CAS 1499-53-2) is a chemical compound with molecular formula C40H44N2O18 and molecular weight 840.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[5-(dimethylamino)-3-hydroxy-6-methyl-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]acetic acid
Also Known As: N,N-Dimethylpradimicin E, N,N-DMPE, KST-1A1559, C40H44N2O18.3/2H2O, C40-H44-N2-O18.3/2H2-O
| Molecular Formula | C40H44N2O18 |
|---|---|
| Molecular Weight | 840.26 g/mol |
| LogP | -1.8 |
| Topological Polar Surface Area | 312.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 9 |
| Exact Mass | 840.2589 |
| Heavy Atoms | 60 |
| Complexity | 1600.0 |
Chemical Identifiers
| CAS Number | 1499-53-2 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC2C(C3=CC4=C(C(=C3C5=C2C=C(C(=C5O)C(=O)NCC(=O)O)C)O)C(=O)C6=C(C4=O)C(=CC(=C6)OC)O)O)O)OC7C(C(C(CO7)O)O)O)N(C)C |
| InChIKey | UKUPYHQDSAALDA-UHFFFAOYSA-N |
Product Overview
N,N-Dimethylpradimicin E (CAS 1499-53-2), with molecular formula C40H44N2O18 and molecular weight 840.26 g/mol. IUPAC: 2-[[5-[5-(dimethylamino)-3-hydroxy-6-methyl-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]acetic acid.
Chemical Property Profile of N,N-Dimethylpradimicin E
Property Insights of N,N-Dimethylpradimicin E
The XLogP value of -1.8 indicates that N,N-Dimethylpradimicin E is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 312.0 Ų indicates high polarity, suggesting N,N-Dimethylpradimicin E may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N,N-Dimethylpradimicin E has 10 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N,N-Dimethylpradimicin E?
The CAS number of N,N-Dimethylpradimicin E is 1499-53-2.
What is the molecular formula of N,N-Dimethylpradimicin E?
The molecular formula of N,N-Dimethylpradimicin E is C40H44N2O18.
What is the molecular weight of N,N-Dimethylpradimicin E?
The molecular weight of N,N-Dimethylpradimicin E is 840.26 g/mol.
Where can I buy N,N-Dimethylpradimicin E?
You can request a quote for N,N-Dimethylpradimicin E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-Dimethylpradimicin E?
Yes, KEHONG BIO provides custom synthesis services for N,N-Dimethylpradimicin E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.