2-methylthio-N6-isopentenyladenosine
TL;DR: 2-methylthio-N6-isopentenyladenosine (CAS 23743-97-7) is a chemical compound with molecular formula C16H23N5O4S and molecular weight 381.15 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-(3-methylbut-2-enylamino)-2-methylsulfanylpurin-9-yl]oxolane-3,4-diol
Also Known As: 2-Mtia, Adenosine Impurity 16, 2MSA, 2-Methylthio-N-6-isopentenyladenosine, 2-Methylthio-N6-isopentenyladenosine
| Molecular Formula | C16H23N5O4S |
|---|---|
| Molecular Weight | 381.15 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 151.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 381.14706 |
| Heavy Atoms | 26 |
| Complexity | 509.0 |
Chemical Identifiers
| CAS Number | 23743-97-7 |
|---|---|
| SMILES | CC(=CCNC1=C2C(=NC(=N1)SC)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)C |
| InChIKey | VZQXUWKZDSEQRR-SDBHATRESA-N |
Product Overview
2-methylthio-N6-isopentenyladenosine (CAS 23743-97-7), with molecular formula C16H23N5O4S and molecular weight 381.15 g/mol. IUPAC: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(3-methylbut-2-enylamino)-2-methylsulfanylpurin-9-yl]oxolane-3,4-diol.
Chemical Property Profile of 2-methylthio-N6-isopentenyladenosine
Property Insights of 2-methylthio-N6-isopentenyladenosine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-methylthio-N6-isopentenyladenosine. The TPSA of 151.0 Ų indicates high polarity, suggesting 2-methylthio-N6-isopentenyladenosine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-methylthio-N6-isopentenyladenosine has 4 hydrogen bond donor(s) and 9 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-methylthio-N6-isopentenyladenosine?
The CAS number of 2-methylthio-N6-isopentenyladenosine is 23743-97-7.
What is the molecular formula of 2-methylthio-N6-isopentenyladenosine?
The molecular formula of 2-methylthio-N6-isopentenyladenosine is C16H23N5O4S.
What is the molecular weight of 2-methylthio-N6-isopentenyladenosine?
The molecular weight of 2-methylthio-N6-isopentenyladenosine is 381.15 g/mol.
Where can I buy 2-methylthio-N6-isopentenyladenosine?
You can request a quote for 2-methylthio-N6-isopentenyladenosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methylthio-N6-isopentenyladenosine?
Yes, KEHONG BIO provides custom synthesis services for 2-methylthio-N6-isopentenyladenosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.