普拉米星A乙酯
TL;DR: 普拉米星A乙酯 (CAS 148763-57-9) is a chemical compound with molecular formula C42H48N2O18 and molecular weight 868.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
普拉米星A乙酯
ethyl (2R)-2-[[(5S,6S)-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 ethyl 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)-, ethyl ester, (5S-trans)-, ethyl (2R)-2-[[(5S,6S)-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 | C42H48N2O18 |
|---|---|
| Molecular Weight | 868.29 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 310.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 11 |
| Exact Mass | 868.2902 |
| Heavy Atoms | 62 |
| Complexity | 1640.0 |
Chemical Identifiers
| CAS Number | 148763-57-9 |
|---|---|
| SMILES | CCOC(=O)[C@@H](C)NC(=O)C1=C(C2=C(C=C1C)[C@@H]([C@H](C3=CC4=C(C(=C32)O)C(=O)C5=C(C4=O)C(=CC(=C5)OC)O)O)OC6C(C(C(C(O6)C)NC)OC7C(C(C(CO7)O)O)O)O)O |
| InChIKey | WXUGBLPUHYDDRP-DYGLELDTSA-N |
Product Overview
普拉米星A乙酯 (CAS 148763-57-9), with molecular formula C42H48N2O18 and molecular weight 868.29 g/mol. IUPAC: ethyl (2R)-2-[[(5S,6S)-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 普拉米星A乙酯
Property Insights of 普拉米星A乙酯
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 普拉米星A乙酯. The TPSA of 310.0 Ų indicates high polarity, suggesting 普拉米星A乙酯 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 普拉米星A乙酯 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 普拉米星A乙酯?
The CAS number of 普拉米星A乙酯 is 148763-57-9.
What is the molecular formula of 普拉米星A乙酯?
The molecular formula of 普拉米星A乙酯 is C42H48N2O18.
What is the molecular weight of 普拉米星A乙酯?
The molecular weight of 普拉米星A乙酯 is 868.29 g/mol.
Where can I buy 普拉米星A乙酯?
You can request a quote for 普拉米星A乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 普拉米星A乙酯?
Yes, KEHONG BIO provides custom synthesis services for 普拉米星A乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.