Pradimicin E
TL;DR: Pradimicin E (CAS 127985-27-7) is a chemical compound with molecular formula C38H40N2O18 and molecular weight 812.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[5-amino-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: Pradimicin E, Des-N-methyl-pradimicin D, KST-1A1036, 2-[[5-[5-amino-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, ({[5-({5-amino-3-hydroxy-6-methyl-4-[(3,4,5-trihydroxytetrahydro-2h-pyran-2-yl)oxy]tetrahydro-2h-pyran-2-yl}oxy)-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6,8,13-tetrahydrobenzo[a]tetracen-2-yl]carbonyl}amino)acetic acid(non-preferred name)
| Molecular Formula | C38H40N2O18 |
|---|---|
| Molecular Weight | 812.23 g/mol |
| LogP | -2.8 |
| Topological Polar Surface Area | 335.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 8 |
| Exact Mass | 812.2276 |
| Heavy Atoms | 58 |
| Complexity | 1560.0 |
Chemical Identifiers
| CAS Number | 127985-27-7 |
|---|---|
| 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 |
| InChIKey | HELMFNXPQUQJFY-UHFFFAOYSA-N |
Product Overview
Pradimicin E (CAS 127985-27-7), with molecular formula C38H40N2O18 and molecular weight 812.23 g/mol. IUPAC: 2-[[5-[5-amino-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 Pradimicin E
Property Insights of Pradimicin E
The XLogP value of -2.8 indicates that Pradimicin E is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 335.0 Ų indicates high polarity, suggesting Pradimicin E may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pradimicin E has 11 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 Pradimicin E?
The CAS number of Pradimicin E is 127985-27-7.
What is the molecular formula of Pradimicin E?
The molecular formula of Pradimicin E is C38H40N2O18.
What is the molecular weight of Pradimicin E?
The molecular weight of Pradimicin E is 812.23 g/mol.
Where can I buy Pradimicin E?
You can request a quote for Pradimicin E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pradimicin E?
Yes, KEHONG BIO provides custom synthesis services for Pradimicin E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.