EtS(-2d)Hexf3Ac5Ac6I-thymin-1-yl
TL;DR: EtS(-2d)Hexf3Ac5Ac6I-thymin-1-yl (CAS 59837-37-5) is a chemical compound with molecular formula C17H23IN2O7S and molecular weight 526.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(1-acetyloxy-2-iodoethyl)-4-ethylsulfanyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate
Also Known As: KST-1B6116, EtS(-2d)Hexf3Ac5Ac6I-thymin-1-yl, 1-(3,5-di-o-acetyl-6-deoxy-2-s-ethyl-6-iodo-2-thiohexofuranosyl)-5-methylpyrimidine-2,4(1h,3h)-dione, [2-(1-acetyloxy-2-iodoethyl)-4-ethylsulfanyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate, 1-(3,5-Di-O-acetyl-6-deoxy-2-S-ethyl-6-iodo-2-thiohexofuranosyl)-4-hydroxy-5-methylpyrimidin-2(1H)-one
| Molecular Formula | C17H23IN2O7S |
|---|---|
| Molecular Weight | 526.03 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 526.0271 |
| Heavy Atoms | 28 |
| Complexity | 686.0 |
Chemical Identifiers
| CAS Number | 59837-37-5 |
|---|---|
| SMILES | CCSC1C(C(OC1N2C=C(C(=O)NC2=O)C)C(CI)OC(=O)C)OC(=O)C |
| InChIKey | CXIBRBWLINPEGV-UHFFFAOYSA-N |
Product Overview
EtS(-2d)Hexf3Ac5Ac6I-thymin-1-yl (CAS 59837-37-5), with molecular formula C17H23IN2O7S and molecular weight 526.03 g/mol. IUPAC: [2-(1-acetyloxy-2-iodoethyl)-4-ethylsulfanyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate.
Chemical Property Profile of EtS(-2d)Hexf3Ac5Ac6I-thymin-1-yl
Property Insights of EtS(-2d)Hexf3Ac5Ac6I-thymin-1-yl
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EtS(-2d)Hexf3Ac5Ac6I-thymin-1-yl. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for EtS(-2d)Hexf3Ac5Ac6I-thymin-1-yl. Following Lipinski's Rule of Five, EtS(-2d)Hexf3Ac5Ac6I-thymin-1-yl has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EtS(-2d)Hexf3Ac5Ac6I-thymin-1-yl?
The CAS number of EtS(-2d)Hexf3Ac5Ac6I-thymin-1-yl is 59837-37-5.
What is the molecular formula of EtS(-2d)Hexf3Ac5Ac6I-thymin-1-yl?
The molecular formula of EtS(-2d)Hexf3Ac5Ac6I-thymin-1-yl is C17H23IN2O7S.
What is the molecular weight of EtS(-2d)Hexf3Ac5Ac6I-thymin-1-yl?
The molecular weight of EtS(-2d)Hexf3Ac5Ac6I-thymin-1-yl is 526.03 g/mol.
Where can I buy EtS(-2d)Hexf3Ac5Ac6I-thymin-1-yl?
You can request a quote for EtS(-2d)Hexf3Ac5Ac6I-thymin-1-yl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EtS(-2d)Hexf3Ac5Ac6I-thymin-1-yl?
Yes, KEHONG BIO provides custom synthesis services for EtS(-2d)Hexf3Ac5Ac6I-thymin-1-yl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.