Cytidine, 2',3'-dideoxy-5-((pentyloxy)methyl)-, 5'-(4-methylbenzoate)
TL;DR: Cytidine, 2',3'-dideoxy-5-((pentyloxy)methyl)-, 5'-(4-methylbenzoate) (CAS 133697-49-1) is a chemical compound with molecular formula C23H31N3O5 and molecular weight 429.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,5R)-5-[4-amino-2-oxo-5-(pentoxymethyl)pyrimidin-1-yl]oxolan-2-yl]methyl 4-methylbenzoate
Also Known As: 2',3'-Dideoxycytidine deriv., 2',3'-Dideoxy-5-O-(4-methylbenzoyl)-5-pentyloxymethylcytidine, Cytidine, 2',3'-dideoxy-5-((pentyloxy)methyl)-, 5'-(4-methylbenzoate), [(2S,5R)-5-[4-amino-2-oxo-5-(pentoxymethyl)pyrimidin-1-yl]oxolan-2-yl]methyl 4-methylbenzoate, 2',3'-DIDEOXY-5-((PENTYLOXY)METHYL)CYTIDINE 5'-(4-METHYLBENZOATE)
| Molecular Formula | C23H31N3O5 |
|---|---|
| Molecular Weight | 429.23 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 429.22638 |
| Heavy Atoms | 31 |
| Complexity | 685.0 |
Chemical Identifiers
| CAS Number | 133697-49-1 |
|---|---|
| SMILES | CCCCCOCC1=CN(C(=O)N=C1N)[C@H]2CC[C@H](O2)COC(=O)C3=CC=C(C=C3)C |
| InChIKey | QMRJOTHMVIYLMT-VQTJNVASSA-N |
Product Overview
Cytidine, 2',3'-dideoxy-5-((pentyloxy)methyl)-, 5'-(4-methylbenzoate) (CAS 133697-49-1), with molecular formula C23H31N3O5 and molecular weight 429.23 g/mol. IUPAC: [(2S,5R)-5-[4-amino-2-oxo-5-(pentoxymethyl)pyrimidin-1-yl]oxolan-2-yl]methyl 4-methylbenzoate.
Chemical Property Profile of Cytidine, 2',3'-dideoxy-5-((pentyloxy)methyl)-, 5'-(4-methylbenzoate)
Property Insights of Cytidine, 2',3'-dideoxy-5-((pentyloxy)methyl)-, 5'-(4-methylbenzoate)
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cytidine, 2',3'-dideoxy-5-((pentyloxy)methyl)-, 5'-(4-methylbenzoate). The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Cytidine, 2',3'-dideoxy-5-((pentyloxy)methyl)-, 5'-(4-methylbenzoate). Following Lipinski's Rule of Five, Cytidine, 2',3'-dideoxy-5-((pentyloxy)methyl)-, 5'-(4-methylbenzoate) has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cytidine, 2',3'-dideoxy-5-((pentyloxy)methyl)-, 5'-(4-methylbenzoate)?
The CAS number of Cytidine, 2',3'-dideoxy-5-((pentyloxy)methyl)-, 5'-(4-methylbenzoate) is 133697-49-1.
What is the molecular formula of Cytidine, 2',3'-dideoxy-5-((pentyloxy)methyl)-, 5'-(4-methylbenzoate)?
The molecular formula of Cytidine, 2',3'-dideoxy-5-((pentyloxy)methyl)-, 5'-(4-methylbenzoate) is C23H31N3O5.
What is the molecular weight of Cytidine, 2',3'-dideoxy-5-((pentyloxy)methyl)-, 5'-(4-methylbenzoate)?
The molecular weight of Cytidine, 2',3'-dideoxy-5-((pentyloxy)methyl)-, 5'-(4-methylbenzoate) is 429.23 g/mol.
Where can I buy Cytidine, 2',3'-dideoxy-5-((pentyloxy)methyl)-, 5'-(4-methylbenzoate)?
You can request a quote for Cytidine, 2',3'-dideoxy-5-((pentyloxy)methyl)-, 5'-(4-methylbenzoate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cytidine, 2',3'-dideoxy-5-((pentyloxy)methyl)-, 5'-(4-methylbenzoate)?
Yes, KEHONG BIO provides custom synthesis services for Cytidine, 2',3'-dideoxy-5-((pentyloxy)methyl)-, 5'-(4-methylbenzoate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.