N(6)-(4-Hydroxyisopentenyl)-2-methylthioadenosine
TL;DR: N(6)-(4-Hydroxyisopentenyl)-2-methylthioadenosine (CAS 53274-45-6) is a chemical compound with molecular formula C16H23N5O5S and molecular weight 397.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(E)-4-hydroxy-3-methylbut-2-enyl]amino]-2-methylsulfanylpurin-9-yl]oxolane-3,4-diol
Also Known As: 2-Methylthioribosylzeatin, 2-Methylthiozeatin riboside, 2-Methylthio-cis-ribozeatin, 2-methylthio-trans-zeatin roboside, N(6)-(4-Hydroxyisopentenyl)-2-methylthioadenosine
| Molecular Formula | C16H23N5O5S |
|---|---|
| Molecular Weight | 397.14 g/mol |
| LogP | -0.4898 |
| Topological Polar Surface Area | 145.78 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 397.142 |
| Heavy Atoms | 27 |
| Complexity | 828.879 |
Chemical Identifiers
| CAS Number | 53274-45-6 |
|---|---|
| SMILES | C/C(=C\CNC1=C2C(=NC(=N1)SC)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)/CO |
Product Overview
N(6)-(4-Hydroxyisopentenyl)-2-methylthioadenosine (CAS 53274-45-6), with molecular formula C16H23N5O5S and molecular weight 397.14 g/mol. IUPAC: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(E)-4-hydroxy-3-methylbut-2-enyl]amino]-2-methylsulfanylpurin-9-yl]oxolane-3,4-diol.
Chemical Property Profile of N(6)-(4-Hydroxyisopentenyl)-2-methylthioadenosine
Property Insights of N(6)-(4-Hydroxyisopentenyl)-2-methylthioadenosine
The XLogP value of -0.4898 indicates that N(6)-(4-Hydroxyisopentenyl)-2-methylthioadenosine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 145.78 Ų indicates high polarity, suggesting N(6)-(4-Hydroxyisopentenyl)-2-methylthioadenosine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N(6)-(4-Hydroxyisopentenyl)-2-methylthioadenosine has 5 hydrogen bond donor(s) and 10 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 N(6)-(4-Hydroxyisopentenyl)-2-methylthioadenosine?
The CAS number of N(6)-(4-Hydroxyisopentenyl)-2-methylthioadenosine is 53274-45-6.
What is the molecular formula of N(6)-(4-Hydroxyisopentenyl)-2-methylthioadenosine?
The molecular formula of N(6)-(4-Hydroxyisopentenyl)-2-methylthioadenosine is C16H23N5O5S.
What is the molecular weight of N(6)-(4-Hydroxyisopentenyl)-2-methylthioadenosine?
The molecular weight of N(6)-(4-Hydroxyisopentenyl)-2-methylthioadenosine is 397.14 g/mol.
Where can I buy N(6)-(4-Hydroxyisopentenyl)-2-methylthioadenosine?
You can request a quote for N(6)-(4-Hydroxyisopentenyl)-2-methylthioadenosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N(6)-(4-Hydroxyisopentenyl)-2-methylthioadenosine?
Yes, KEHONG BIO provides custom synthesis services for N(6)-(4-Hydroxyisopentenyl)-2-methylthioadenosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.