1-(3-O-苯甲酰-2-脱氧戊呋喃糖基)-4-羟基-5-甲基嘧啶-2(1H)-酮
TL;DR: 1-(3-O-苯甲酰-2-脱氧戊呋喃糖基)-4-羟基-5-甲基嘧啶-2(1H)-酮 (CAS 17696-62-7) is a chemical compound with molecular formula C17H18N2O6 and molecular weight 346.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-O-苯甲酰-2-脱氧戊呋喃糖基)-4-羟基-5-甲基嘧啶-2(1H)-酮
[(3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] benzoate
Also Known As: Thymidine 3'-benzoate, KST-1B1030, 1-[(4xi)-3-o-benzoyl-2-deoxy-, A-d-glycero-pentofuranosyl]-5-methylpyrimidine-2,4(1h,3h)-dione, [(3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] benzoate
| Molecular Formula | C17H18N2O6 |
|---|---|
| Molecular Weight | 346.12 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.1165 |
| Heavy Atoms | 25 |
| Complexity | 584.0 |
Chemical Identifiers
| CAS Number | 17696-62-7 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H](C(O2)CO)OC(=O)C3=CC=CC=C3 |
| InChIKey | CZRPYTUJUAJMJJ-SMEJFCCLSA-N |
Product Overview
1-(3-O-苯甲酰-2-脱氧戊呋喃糖基)-4-羟基-5-甲基嘧啶-2(1H)-酮 (CAS 17696-62-7), with molecular formula C17H18N2O6 and molecular weight 346.12 g/mol. IUPAC: [(3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] benzoate.
Chemical Property Profile of 1-(3-O-苯甲酰-2-脱氧戊呋喃糖基)-4-羟基-5-甲基嘧啶-2(1H)-酮
Property Insights of 1-(3-O-苯甲酰-2-脱氧戊呋喃糖基)-4-羟基-5-甲基嘧啶-2(1H)-酮
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-O-苯甲酰-2-脱氧戊呋喃糖基)-4-羟基-5-甲基嘧啶-2(1H)-酮. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-O-苯甲酰-2-脱氧戊呋喃糖基)-4-羟基-5-甲基嘧啶-2(1H)-酮. Following Lipinski's Rule of Five, 1-(3-O-苯甲酰-2-脱氧戊呋喃糖基)-4-羟基-5-甲基嘧啶-2(1H)-酮 has 2 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 1-(3-O-苯甲酰-2-脱氧戊呋喃糖基)-4-羟基-5-甲基嘧啶-2(1H)-酮?
The CAS number of 1-(3-O-苯甲酰-2-脱氧戊呋喃糖基)-4-羟基-5-甲基嘧啶-2(1H)-酮 is 17696-62-7.
What is the molecular formula of 1-(3-O-苯甲酰-2-脱氧戊呋喃糖基)-4-羟基-5-甲基嘧啶-2(1H)-酮?
The molecular formula of 1-(3-O-苯甲酰-2-脱氧戊呋喃糖基)-4-羟基-5-甲基嘧啶-2(1H)-酮 is C17H18N2O6.
What is the molecular weight of 1-(3-O-苯甲酰-2-脱氧戊呋喃糖基)-4-羟基-5-甲基嘧啶-2(1H)-酮?
The molecular weight of 1-(3-O-苯甲酰-2-脱氧戊呋喃糖基)-4-羟基-5-甲基嘧啶-2(1H)-酮 is 346.12 g/mol.
Where can I buy 1-(3-O-苯甲酰-2-脱氧戊呋喃糖基)-4-羟基-5-甲基嘧啶-2(1H)-酮?
You can request a quote for 1-(3-O-苯甲酰-2-脱氧戊呋喃糖基)-4-羟基-5-甲基嘧啶-2(1H)-酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-O-苯甲酰-2-脱氧戊呋喃糖基)-4-羟基-5-甲基嘧啶-2(1H)-酮?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-O-苯甲酰-2-脱氧戊呋喃糖基)-4-羟基-5-甲基嘧啶-2(1H)-酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.