2',3'-Dideoxy-5'-O-(4-methylbenzoyl)-5-pentyloxymethyluridine
TL;DR: 2',3'-Dideoxy-5'-O-(4-methylbenzoyl)-5-pentyloxymethyluridine (CAS 133697-40-2) is a chemical compound with molecular formula C23H30N2O6 and molecular weight 430.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,5R)-5-[2,4-dioxo-5-(pentoxymethyl)pyrimidin-1-yl]oxolan-2-yl]methyl 4-methylbenzoate
Also Known As: 2',3'-Dideoxyuridine deriv., 2',3'-Dideoxy-5'-O-(4-methylbenzoyl)-5-pentyloxymethyluridine, Thymidine, 3'-deoxy-alpha-(pentyloxy)-, 5'-(4-methylbenzoate), S14-2027, [(2S,5R)-5-[2,4-dioxo-5-(pentoxymethyl)pyrimidin-1-yl]oxolan-2-yl]methyl 4-methylbenzoate
| Molecular Formula | C23H30N2O6 |
|---|---|
| Molecular Weight | 430.21 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 94.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 430.2104 |
| Heavy Atoms | 31 |
| Complexity | 671.0 |
Chemical Identifiers
| CAS Number | 133697-40-2 |
|---|---|
| SMILES | CCCCCOCC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)COC(=O)C3=CC=C(C=C3)C |
| InChIKey | HSKYUTDJWUKGFD-VQTJNVASSA-N |
Product Overview
2',3'-Dideoxy-5'-O-(4-methylbenzoyl)-5-pentyloxymethyluridine (CAS 133697-40-2), with molecular formula C23H30N2O6 and molecular weight 430.21 g/mol. IUPAC: [(2S,5R)-5-[2,4-dioxo-5-(pentoxymethyl)pyrimidin-1-yl]oxolan-2-yl]methyl 4-methylbenzoate.
Chemical Property Profile of 2',3'-Dideoxy-5'-O-(4-methylbenzoyl)-5-pentyloxymethyluridine
Property Insights of 2',3'-Dideoxy-5'-O-(4-methylbenzoyl)-5-pentyloxymethyluridine
The XLogP value of 3.1 indicates that 2',3'-Dideoxy-5'-O-(4-methylbenzoyl)-5-pentyloxymethyluridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2',3'-Dideoxy-5'-O-(4-methylbenzoyl)-5-pentyloxymethyluridine. Following Lipinski's Rule of Five, 2',3'-Dideoxy-5'-O-(4-methylbenzoyl)-5-pentyloxymethyluridine has 1 hydrogen bond donor(s) and 6 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 2',3'-Dideoxy-5'-O-(4-methylbenzoyl)-5-pentyloxymethyluridine?
The CAS number of 2',3'-Dideoxy-5'-O-(4-methylbenzoyl)-5-pentyloxymethyluridine is 133697-40-2.
What is the molecular formula of 2',3'-Dideoxy-5'-O-(4-methylbenzoyl)-5-pentyloxymethyluridine?
The molecular formula of 2',3'-Dideoxy-5'-O-(4-methylbenzoyl)-5-pentyloxymethyluridine is C23H30N2O6.
What is the molecular weight of 2',3'-Dideoxy-5'-O-(4-methylbenzoyl)-5-pentyloxymethyluridine?
The molecular weight of 2',3'-Dideoxy-5'-O-(4-methylbenzoyl)-5-pentyloxymethyluridine is 430.21 g/mol.
Where can I buy 2',3'-Dideoxy-5'-O-(4-methylbenzoyl)-5-pentyloxymethyluridine?
You can request a quote for 2',3'-Dideoxy-5'-O-(4-methylbenzoyl)-5-pentyloxymethyluridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2',3'-Dideoxy-5'-O-(4-methylbenzoyl)-5-pentyloxymethyluridine?
Yes, KEHONG BIO provides custom synthesis services for 2',3'-Dideoxy-5'-O-(4-methylbenzoyl)-5-pentyloxymethyluridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.