Thymidine, 3'-deoxy-3'-((2-methyl-1-oxopropyl)amino)-
TL;DR: Thymidine, 3'-deoxy-3'-((2-methyl-1-oxopropyl)amino)- (CAS 132149-31-6) is a chemical compound with molecular formula C14H21N3O5 and molecular weight 311.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]-2-methylpropanamide
Also Known As: 3'-Isobutyrylamino-3'-dT, 3'-Isobutyrylamino-3'-deoxythymidine, Thymidine, 3'-deoxy-3'-((2-methyl-1-oxopropyl)amino)-, 3'-Deoxy-3'-(2-methylpropanamido)thymidine, Thymidine, 3'-deoxy-3'-[(2-methyl-1-oxopropyl)amino]-
| Molecular Formula | C14H21N3O5 |
|---|---|
| Molecular Weight | 311.15 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.14813 |
| Heavy Atoms | 22 |
| Complexity | 517.0 |
Chemical Identifiers
| CAS Number | 132149-31-6 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)NC(=O)C(C)C |
| InChIKey | KLEYWWGBUPXPAZ-HBNTYKKESA-N |
Product Overview
Thymidine, 3'-deoxy-3'-((2-methyl-1-oxopropyl)amino)- (CAS 132149-31-6), with molecular formula C14H21N3O5 and molecular weight 311.15 g/mol. IUPAC: N-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]-2-methylpropanamide.
Chemical Property Profile of Thymidine, 3'-deoxy-3'-((2-methyl-1-oxopropyl)amino)-
Property Insights of Thymidine, 3'-deoxy-3'-((2-methyl-1-oxopropyl)amino)-
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thymidine, 3'-deoxy-3'-((2-methyl-1-oxopropyl)amino)-. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Thymidine, 3'-deoxy-3'-((2-methyl-1-oxopropyl)amino)-. Following Lipinski's Rule of Five, Thymidine, 3'-deoxy-3'-((2-methyl-1-oxopropyl)amino)- has 3 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 Thymidine, 3'-deoxy-3'-((2-methyl-1-oxopropyl)amino)-?
The CAS number of Thymidine, 3'-deoxy-3'-((2-methyl-1-oxopropyl)amino)- is 132149-31-6.
What is the molecular formula of Thymidine, 3'-deoxy-3'-((2-methyl-1-oxopropyl)amino)-?
The molecular formula of Thymidine, 3'-deoxy-3'-((2-methyl-1-oxopropyl)amino)- is C14H21N3O5.
What is the molecular weight of Thymidine, 3'-deoxy-3'-((2-methyl-1-oxopropyl)amino)-?
The molecular weight of Thymidine, 3'-deoxy-3'-((2-methyl-1-oxopropyl)amino)- is 311.15 g/mol.
Where can I buy Thymidine, 3'-deoxy-3'-((2-methyl-1-oxopropyl)amino)-?
You can request a quote for Thymidine, 3'-deoxy-3'-((2-methyl-1-oxopropyl)amino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thymidine, 3'-deoxy-3'-((2-methyl-1-oxopropyl)amino)-?
Yes, KEHONG BIO provides custom synthesis services for Thymidine, 3'-deoxy-3'-((2-methyl-1-oxopropyl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.