2'-(3,3,5-Trimethyl-hexamethyleneimino)-3'-deoxythymidine
TL;DR: 2'-(3,3,5-Trimethyl-hexamethyleneimino)-3'-deoxythymidine (CAS 134935-14-1) is a chemical compound with molecular formula C19H31N3O4 and molecular weight 365.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2R,3R,5S)-5-(hydroxymethyl)-3-(3,3,5-trimethylazepan-1-yl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Also Known As: (TriMeHexaCH2imino)dT, 2'-(3,3,5-Trimethyl-hexamethyleneimino)-3'-deoxythymidine, Uridine, 2',3'-dideoxy-2'-(hexahydro-3,3,5-trimethyl-1H-azepin-1-yl)-5-methyl-, 1-[(2R,3R,5S)-5-(hydroxymethyl)-3-(3,3,5-trimethylazepan-1-yl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione, 1-[(2R,3R,5S)-5-(hydroxymethyl)-3-(3,3,5-trimethylazepan-1-yl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
| Molecular Formula | C19H31N3O4 |
|---|---|
| Molecular Weight | 365.23 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 82.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 365.23145 |
| Heavy Atoms | 26 |
| Complexity | 604.0 |
Chemical Identifiers
| CAS Number | 134935-14-1 |
|---|---|
| SMILES | CC1CCN(CC(C1)(C)C)[C@@H]2C[C@H](O[C@H]2N3C=C(C(=O)NC3=O)C)CO |
| InChIKey | AEZQFEBZIDMSFQ-XQKIXBLGSA-N |
Product Overview
2'-(3,3,5-Trimethyl-hexamethyleneimino)-3'-deoxythymidine (CAS 134935-14-1), with molecular formula C19H31N3O4 and molecular weight 365.23 g/mol. IUPAC: 1-[(2R,3R,5S)-5-(hydroxymethyl)-3-(3,3,5-trimethylazepan-1-yl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione.
Chemical Property Profile of 2'-(3,3,5-Trimethyl-hexamethyleneimino)-3'-deoxythymidine
Property Insights of 2'-(3,3,5-Trimethyl-hexamethyleneimino)-3'-deoxythymidine
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2'-(3,3,5-Trimethyl-hexamethyleneimino)-3'-deoxythymidine. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2'-(3,3,5-Trimethyl-hexamethyleneimino)-3'-deoxythymidine. Following Lipinski's Rule of Five, 2'-(3,3,5-Trimethyl-hexamethyleneimino)-3'-deoxythymidine has 2 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 2'-(3,3,5-Trimethyl-hexamethyleneimino)-3'-deoxythymidine?
The CAS number of 2'-(3,3,5-Trimethyl-hexamethyleneimino)-3'-deoxythymidine is 134935-14-1.
What is the molecular formula of 2'-(3,3,5-Trimethyl-hexamethyleneimino)-3'-deoxythymidine?
The molecular formula of 2'-(3,3,5-Trimethyl-hexamethyleneimino)-3'-deoxythymidine is C19H31N3O4.
What is the molecular weight of 2'-(3,3,5-Trimethyl-hexamethyleneimino)-3'-deoxythymidine?
The molecular weight of 2'-(3,3,5-Trimethyl-hexamethyleneimino)-3'-deoxythymidine is 365.23 g/mol.
Where can I buy 2'-(3,3,5-Trimethyl-hexamethyleneimino)-3'-deoxythymidine?
You can request a quote for 2'-(3,3,5-Trimethyl-hexamethyleneimino)-3'-deoxythymidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-(3,3,5-Trimethyl-hexamethyleneimino)-3'-deoxythymidine?
Yes, KEHONG BIO provides custom synthesis services for 2'-(3,3,5-Trimethyl-hexamethyleneimino)-3'-deoxythymidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.