Pradimicin A dimethylamide hydrate
TL;DR: Pradimicin A dimethylamide hydrate (CAS 133917-48-3) is a chemical compound with molecular formula C42H49N3O17 and molecular weight 867.3062 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[1-(dimethylamino)-1-oxopropan-2-yl]-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-carboxamide
Also Known As: Pradimicin A dimethylamide hydrate, Propanamide, 2-(((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)amino)-N,N-dimethyl-, trihydrate, (5S-(2(S*),5-alpha,6-beta))-, 5-{[4,6-Dideoxy-4-(methylamino)-3-O-pentopyranosylhexopyranosyl]oxy}-N-[1-(dimethylamino)-1-oxopropan-2-yl]-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6,8,13-tetrahydrobenzo[a]tetracene-2-carboximidic acid, N-[1-(dimethylamino)-1-oxopropan-2-yl]-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-carboxamide
Technical Specifications
| Molecular Formula | C42H49N3O17 |
| Molecular Weight | 867.3062 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 304.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 9 |
| Exact Mass | 867.3062 Da |
| Heavy Atoms | 62 |
| Complexity | 1660.0 |
| SMILES | CC1C(C(C(C(O1)OC2C(C3=CC4=C(C(=C3C5=C2C=C(C(=C5O)C(=O)NC(C)C(=O)N(C)C)C)O)C(=O)C6=C(C4=O)C(=CC(=C6)OC)O)O)O)OC7C(C(C(CO7)O)O)O)NC |
| InChIKey | XRDGOJQMYMSYJP-UHFFFAOYSA-N |
Chemical Property Profile of Pradimicin A dimethylamide hydrate
Property Insights of Pradimicin A dimethylamide hydrate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pradimicin A dimethylamide hydrate. The TPSA of 304.0 Ų indicates high polarity, suggesting Pradimicin A dimethylamide hydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pradimicin A dimethylamide hydrate has 10 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Pradimicin A dimethylamide hydrate?
The CAS number of Pradimicin A dimethylamide hydrate is 133917-48-3.
What is the molecular formula of Pradimicin A dimethylamide hydrate?
The molecular formula of Pradimicin A dimethylamide hydrate is C42H49N3O17.
What is the molecular weight of Pradimicin A dimethylamide hydrate?
The molecular weight of Pradimicin A dimethylamide hydrate is 867.3062 g/mol.
Where can I buy Pradimicin A dimethylamide hydrate?
You can request a quote for Pradimicin A dimethylamide hydrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pradimicin A dimethylamide hydrate?
Yes, CoreyChem provides custom synthesis services for Pradimicin A dimethylamide hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.