4-Bromopradimicin A
TL;DR: 4-Bromopradimicin A (CAS 153619-27-3) is a chemical compound with molecular formula C40H43BrN2O18 and molecular weight 918.16943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R)-2-[[(5S,6S)-4-bromo-1,6,9,14-tetrahydroxy-5-[(2S,3R,4S,5S,6R)-3-hydroxy-6-methyl-5-(methylamino)-4-[(2S,3R,4S,5R)-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]propanoic acid
Also Known As: 4-Bromopradimicin A, Benzo[a]naphthacene, D-alanine deriv., D-Alanine, N-((4-bromo-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)-, (5S-trans)-, (2R)-2-[[(5S,6S)-4-bromo-1,6,9,14-tetrahydroxy-5-[(2S,3R,4S,5S,6R)-3-hydroxy-6-methyl-5-(methylamino)-4-[(2S,3R,4S,5R)-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]propanoic acid, (2R)-2-(((5S,6S)-4-bromo-1,6,9,14-tetrahydroxy-5-((2S,3R,4S,5S,6R)-3-hydroxy-6-methyl-5-(methylamino)-4-((2S,3R,4S,5R)-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)propanoic acid
Technical Specifications
| Molecular Formula | C40H43BrN2O18 |
| Molecular Weight | 918.16943 g/mol |
| XLogP | -1.2 |
| Topological Polar Surface Area (TPSA) | 321.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 9 |
| Exact Mass | 918.16943 Da |
| Heavy Atoms | 61 |
| Complexity | 1650.0 |
| 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=C(C(=C(C(=C25)Br)C)C(=O)N[C@H](C)C(=O)O)O)O)C(=O)C6=C(C4=O)C(=CC(=C6)OC)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)NC |
| InChIKey | ANBZRBNGTMXCMJ-KOIICSSNSA-N |
Chemical Property Profile of 4-Bromopradimicin A
Property Insights of 4-Bromopradimicin A
The XLogP value of -1.2 indicates that 4-Bromopradimicin A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 321.0 Ų indicates high polarity, suggesting 4-Bromopradimicin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Bromopradimicin A has 11 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 4-Bromopradimicin A?
The CAS number of 4-Bromopradimicin A is 153619-27-3.
What is the molecular formula of 4-Bromopradimicin A?
The molecular formula of 4-Bromopradimicin A is C40H43BrN2O18.
What is the molecular weight of 4-Bromopradimicin A?
The molecular weight of 4-Bromopradimicin A is 918.16943 g/mol.
Where can I buy 4-Bromopradimicin A?
You can request a quote for 4-Bromopradimicin A directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Bromopradimicin A?
Yes, CoreyChem provides custom synthesis services for 4-Bromopradimicin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.