Pradimicin FS
TL;DR: Pradimicin FS (CAS 146446-03-9) is a chemical compound with molecular formula C41H46N2O22S and molecular weight 950.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-[[(5S,6S)-5-[(2S,3R,4S,5S,6R)-4-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-sulfooxan-2-yl]oxy-3-hydroxy-6-methyl-5-(methylamino)oxan-2-yl]oxy-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]-3-hydroxypropanoic acid
Also Known As: Pradimicin FS, (2R)-2-[[(5S,6S)-5-[(2S,3R,4S,5S,6R)-4-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-sulfo-tetrahydropyran-2-yl]oxy-3-hydroxy-6-methyl-5-(methylamino)tetrahydropyran-2-yl]oxy-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]-3-hydroxy-propanoic acid, (2R)-2-[[(5S,6S)-5-[(2S,3R,4S,5S,6R)-4-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-sulfooxan-2-yl]oxy-3-hydroxy-6-methyl-5-(methylamino)oxan-2-yl]oxy-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]-3-hydroxypropanoic acid, D-Serine, N-[[5-[[4,6-dideoxy-4-(methylamino)-3-O-(3-O-sulfo-.beta.-D-glucopyranosyl)-.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]-, (5S-trans)-
| Molecular Formula | C41H46N2O22S |
|---|---|
| Molecular Weight | 950.23 g/mol |
| LogP | -2.9 |
| Topological Polar Surface Area | 404.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 12 |
| Exact Mass | 950.2263 |
| Heavy Atoms | 66 |
| Complexity | 1910.0 |
Chemical Identifiers
| CAS Number | 146446-03-9 |
|---|---|
| SMILES | C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](C3=CC4=C(C(=C3C5=C2C=C(C(=C5O)C(=O)N[C@H](CO)C(=O)O)C)O)C(=O)C6=C(C4=O)C(=CC(=C6)OC)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)S(=O)(=O)O)O)NC |
| InChIKey | MQZAUPZFCCVIFR-GVIWZBKTSA-N |
Product Overview
Pradimicin FS (CAS 146446-03-9), with molecular formula C41H46N2O22S and molecular weight 950.23 g/mol. IUPAC: (2R)-2-[[(5S,6S)-5-[(2S,3R,4S,5S,6R)-4-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-sulfooxan-2-yl]oxy-3-hydroxy-6-methyl-5-(methylamino)oxan-2-yl]oxy-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]-3-hydroxypropanoic acid.
Chemical Property Profile of Pradimicin FS
Property Insights of Pradimicin FS
The XLogP value of -2.9 indicates that Pradimicin FS is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 404.0 Ų indicates high polarity, suggesting Pradimicin FS may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pradimicin FS has 13 hydrogen bond donor(s) and 23 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pradimicin FS?
The CAS number of Pradimicin FS is 146446-03-9.
What is the molecular formula of Pradimicin FS?
The molecular formula of Pradimicin FS is C41H46N2O22S.
What is the molecular weight of Pradimicin FS?
The molecular weight of Pradimicin FS is 950.23 g/mol.
Where can I buy Pradimicin FS?
You can request a quote for Pradimicin FS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pradimicin FS?
Yes, KEHONG BIO provides custom synthesis services for Pradimicin FS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.