ddC-AZT dimer
TL;DR: ddC-AZT dimer (CAS 121892-89-5) is a chemical compound with molecular formula C23H28N8O9 and molecular weight 560.20 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]methyl 4-[[1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-4-oxobutanoate
Also Known As: ddC-AZT dimer, [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 4-[[1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-4-oxobutanoate, ((2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methyl 4-((1-((2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl)-2-oxo-1,2-dihydropyrimidin-4-yl)amino)-4-oxobutanoate, 3'-Azido-3'-deoxy-4-1-(2',3'-dideoxy-pentofuranosyl)-1,2-dihydro-2-oxo-4-pyrimidinyl-amino-beta-D-erythro-thymidine-5'(4-oxobutanoate) (ester), Thymidine, 3'-azido-3'-deoxy-, 5'-(4-((1,2-dihydro-2-oxo-1-(tetrahydro-5-(hydroxymethyl)-2-furanyl)-4-pyrimidinyl)amino)-4-oxobutanoate), (2R-cis)-
| Molecular Formula | C23H28N8O9 |
|---|---|
| Molecular Weight | 560.20 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 191.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 11 |
| Exact Mass | 560.19794 |
| Heavy Atoms | 40 |
| Complexity | 1210.0 |
Chemical Identifiers
| CAS Number | 121892-89-5 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(=O)CCC(=O)NC3=NC(=O)N(C=C3)[C@H]4CC[C@H](O4)CO)N=[N+]=[N-] |
| InChIKey | NMMZGCYKOUGDII-ZWHCBUBPSA-N |
Product Overview
ddC-AZT dimer (CAS 121892-89-5), with molecular formula C23H28N8O9 and molecular weight 560.20 g/mol. IUPAC: [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 4-[[1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-4-oxobutanoate.
Chemical Property Profile of ddC-AZT dimer
Property Insights of ddC-AZT dimer
The XLogP value of -0.8 indicates that ddC-AZT dimer is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 191.0 Ų indicates high polarity, suggesting ddC-AZT dimer may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ddC-AZT dimer has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ddC-AZT dimer?
The CAS number of ddC-AZT dimer is 121892-89-5.
What is the molecular formula of ddC-AZT dimer?
The molecular formula of ddC-AZT dimer is C23H28N8O9.
What is the molecular weight of ddC-AZT dimer?
The molecular weight of ddC-AZT dimer is 560.20 g/mol.
Where can I buy ddC-AZT dimer?
You can request a quote for ddC-AZT dimer directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ddC-AZT dimer?
Yes, KEHONG BIO provides custom synthesis services for ddC-AZT dimer and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.