Pradimicin A methyl ester
TL;DR: Pradimicin A methyl ester (CAS 148763-56-8) is a chemical compound with molecular formula C41H46N2O18 and molecular weight 854.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[1,6,9,14-tetrahydroxy-5-[3-hydroxy-6-methyl-5-(methylamino)-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoate
Also Known As: Pradimicin A methyl ester, D-Alanine, N-((5-((4,6-dideoxy-4-(methylamino)-3-O-beta-D-xylopyranosyl-beta-D-galactopyranosyl)oxy)-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo(a)naphthacen-2-yl)carbonyl)-, methyl ester, (5S-trans)-, 5-{[4,6-Dideoxy-4-(methylamino)-3-O-pentopyranosylhexopyranosyl]oxy}-1,6,9,14-tetrahydroxy-11-methoxy-N-(1-methoxy-1-oxopropan-2-yl)-3-methyl-8,13-dioxo-5,6,8,13-tetrahydrobenzo[a]tetracene-2-carboximidic acid, methyl 2-[[1,6,9,14-tetrahydroxy-5-[3-hydroxy-6-methyl-5-(methylamino)-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoate
| Molecular Formula | C41H46N2O18 |
|---|---|
| Molecular Weight | 854.27 g/mol |
| LogP | -0.52328 |
| Topological Polar Surface Area | 309.56 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 9 |
| Exact Mass | 854.27454 |
| Heavy Atoms | 61 |
| Complexity | 2299.0264 |
Chemical Identifiers
| CAS Number | 148763-56-8 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC2C(C3=CC4=C(C(=C3C5=C2C=C(C(=C5O)C(=O)NC(C)C(=O)OC)C)O)C(=O)C6=C(C4=O)C(=CC(=C6)OC)O)O)O)OC7C(C(C(CO7)O)O)O)NC |
Product Overview
Pradimicin A methyl ester (CAS 148763-56-8), with molecular formula C41H46N2O18 and molecular weight 854.27 g/mol. IUPAC: methyl 2-[[1,6,9,14-tetrahydroxy-5-[3-hydroxy-6-methyl-5-(methylamino)-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoate.
Chemical Property Profile of Pradimicin A methyl ester
Property Insights of Pradimicin A methyl ester
The XLogP value of -0.52328 indicates that Pradimicin A methyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 309.56 Ų indicates high polarity, suggesting Pradimicin A methyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pradimicin A methyl ester 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 Pradimicin A methyl ester?
The CAS number of Pradimicin A methyl ester is 148763-56-8.
What is the molecular formula of Pradimicin A methyl ester?
The molecular formula of Pradimicin A methyl ester is C41H46N2O18.
What is the molecular weight of Pradimicin A methyl ester?
The molecular weight of Pradimicin A methyl ester is 854.27 g/mol.
Where can I buy Pradimicin A methyl ester?
You can request a quote for Pradimicin A methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pradimicin A methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Pradimicin A methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.