2-Methoxy-6-chloro-9-aminoacridinyl-N-pentamethylene tetrathymidylic acid
TL;DR: 2-Methoxy-6-chloro-9-aminoacridinyl-N-pentamethylene tetrathymidylic acid (CAS 91401-15-9) is a chemical compound with molecular formula C59H73ClN10O30P4 and molecular weight 1560.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,5R)-2-[2-[(2S,3S,5R)-3-[5-[(6-chloro-2-methoxyacridin-9-yl)amino]pentyl]-3-hydroxy-2-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-3-[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-2-phosphonooxypropyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate
Also Known As: (Tp)4(Ch2)5Acr, 2-Methoxy-6-chloro-9-aminoacridinyl-N-pentamethylene tetrathymidylic acid, [(2R,3S,5R)-2-[2-[(2S,3S,5R)-3-[5-[(6-chloro-2-methoxyacridin-9-yl)amino]pentyl]-3-hydroxy-2-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-3-[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-2-phosphonooxypropyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate, 3'-(5-((6-Chloro-2-methoxy-9-acridinyl)amino)pentyl) thymidylyl-3(3'-5')-thymidylyl-(3'-5')-thymidylyl-(3'-5')-3'-thymidylate, 3'-Thymidylic acid, thymidylyl-(3'-5')-thymidylyl-(3'-5')-thymidylyl-(3'-5')-, 3'-(5-((6-chloro-2-methoxy-9-acridinyl)amino)pentyl) ester
| Molecular Formula | C59H73ClN10O30P4 |
|---|---|
| Molecular Weight | 1560.31 g/mol |
| LogP | 2.16018 |
| Topological Polar Surface Area | 577.78 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 26 |
| Rotatable Bonds | 27 |
| Exact Mass | 1560.3134 |
| Heavy Atoms | 104 |
| Complexity | 5207.3394 |
Chemical Identifiers
| CAS Number | 91401-15-9 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)C[C@]3([C@@](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)(CCCCCNC5=C6C=C(C=CC6=NC7=C5C=CC(=C7)Cl)OC)O)C(C[C@@H]8[C@H](C[C@@H](O8)N9C=C(C(=O)NC9=O)C)O)(C[C@@H]1[C@H](C[C@@H](O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)O |
Product Overview
2-Methoxy-6-chloro-9-aminoacridinyl-N-pentamethylene tetrathymidylic acid (CAS 91401-15-9), with molecular formula C59H73ClN10O30P4 and molecular weight 1560.31 g/mol. IUPAC: [(2R,3S,5R)-2-[2-[(2S,3S,5R)-3-[5-[(6-chloro-2-methoxyacridin-9-yl)amino]pentyl]-3-hydroxy-2-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-3-[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-2-phosphonooxypropyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate.
Chemical Property Profile of 2-Methoxy-6-chloro-9-aminoacridinyl-N-pentamethylene tetrathymidylic acid
Property Insights of 2-Methoxy-6-chloro-9-aminoacridinyl-N-pentamethylene tetrathymidylic acid
The XLogP value of 2.16018 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methoxy-6-chloro-9-aminoacridinyl-N-pentamethylene tetrathymidylic acid. The TPSA of 577.78 Ų indicates high polarity, suggesting 2-Methoxy-6-chloro-9-aminoacridinyl-N-pentamethylene tetrathymidylic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Methoxy-6-chloro-9-aminoacridinyl-N-pentamethylene tetrathymidylic acid has 14 hydrogen bond donor(s) and 26 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Methoxy-6-chloro-9-aminoacridinyl-N-pentamethylene tetrathymidylic acid?
The CAS number of 2-Methoxy-6-chloro-9-aminoacridinyl-N-pentamethylene tetrathymidylic acid is 91401-15-9.
What is the molecular formula of 2-Methoxy-6-chloro-9-aminoacridinyl-N-pentamethylene tetrathymidylic acid?
The molecular formula of 2-Methoxy-6-chloro-9-aminoacridinyl-N-pentamethylene tetrathymidylic acid is C59H73ClN10O30P4.
What is the molecular weight of 2-Methoxy-6-chloro-9-aminoacridinyl-N-pentamethylene tetrathymidylic acid?
The molecular weight of 2-Methoxy-6-chloro-9-aminoacridinyl-N-pentamethylene tetrathymidylic acid is 1560.31 g/mol.
Where can I buy 2-Methoxy-6-chloro-9-aminoacridinyl-N-pentamethylene tetrathymidylic acid?
You can request a quote for 2-Methoxy-6-chloro-9-aminoacridinyl-N-pentamethylene tetrathymidylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methoxy-6-chloro-9-aminoacridinyl-N-pentamethylene tetrathymidylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Methoxy-6-chloro-9-aminoacridinyl-N-pentamethylene tetrathymidylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.