RefChem:385594
TL;DR: RefChem:385594 (CAS 175481-43-3) is a chemical compound with molecular formula C20H26N10O13P2 and molecular weight 676.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
Also Known As: 5'-O,5'''-O-(Oxybisphosphinico)bis[3'-azido-3'-deoxythymidine], 5 -O,5 -O-(Oxybisphosphinico)bis[3 -azido-3 -deoxythymidine], Diphosphoric acid alpha,beta-bis(3 -deoxy-3 -azido-5 -thymidyl) ester, {[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy}[({[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphinic acid, Bis{[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)oxolan-2-yl]methyl} dihydrogen diphosphate
| Molecular Formula | C20H26N10O13P2 |
|---|---|
| Molecular Weight | 676.12 g/mol |
| LogP | 0.88704 |
| Topological Polar Surface Area | 327.99 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 12 |
| Exact Mass | 676.1156 |
| Heavy Atoms | 45 |
| Complexity | 1743.8142 |
Chemical Identifiers
| CAS Number | 175481-43-3 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)N=[N+]=[N-])N=[N+]=[N-] |
Product Overview
RefChem:385594 (CAS 175481-43-3), with molecular formula C20H26N10O13P2 and molecular weight 676.12 g/mol. IUPAC: [[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate.
Chemical Property Profile of RefChem:385594
Property Insights of RefChem:385594
The XLogP value of 0.88704 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:385594. The TPSA of 327.99 Ų indicates high polarity, suggesting RefChem:385594 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:385594 has 4 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:385594?
The CAS number of RefChem:385594 is 175481-43-3.
What is the molecular formula of RefChem:385594?
The molecular formula of RefChem:385594 is C20H26N10O13P2.
What is the molecular weight of RefChem:385594?
The molecular weight of RefChem:385594 is 676.12 g/mol.
Where can I buy RefChem:385594?
You can request a quote for RefChem:385594 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:385594?
Yes, KEHONG BIO provides custom synthesis services for RefChem:385594 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.