N-Methyl-2',3'-didehydro-2',3'-dideoxyadenosine
TL;DR: N-Methyl-2',3'-didehydro-2',3'-dideoxyadenosine (CAS 117723-67-8) is a chemical compound with molecular formula C11H13N5O2 and molecular weight 247.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,5R)-5-[6-(methylamino)purin-9-yl]-2,5-dihydrofuran-2-yl]methanol
Also Known As: D4MeA, Me-D4A, N-Methyl-2',3'-didehydro-2',3'-dideoxyadenosine, [(2S,5R)-5-[6-(methylamino)purin-9-yl]-2,5-dihydrofuran-2-yl]methanol, 8-cyclopent-3-en-1-yl-1,3-dipropyl-7H-purine-2,6-dione
| Molecular Formula | C11H13N5O2 |
|---|---|
| Molecular Weight | 247.11 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 85.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.10692 |
| Heavy Atoms | 18 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 117723-67-8 |
|---|---|
| SMILES | CNC1=C2C(=NC=N1)N(C=N2)[C@H]3C=C[C@H](O3)CO |
| InChIKey | PTVIQIRZWYHMSO-JGVFFNPUSA-N |
Product Overview
N-Methyl-2',3'-didehydro-2',3'-dideoxyadenosine (CAS 117723-67-8), with molecular formula C11H13N5O2 and molecular weight 247.11 g/mol. IUPAC: [(2S,5R)-5-[6-(methylamino)purin-9-yl]-2,5-dihydrofuran-2-yl]methanol.
Chemical Property Profile of N-Methyl-2',3'-didehydro-2',3'-dideoxyadenosine
Property Insights of N-Methyl-2',3'-didehydro-2',3'-dideoxyadenosine
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Methyl-2',3'-didehydro-2',3'-dideoxyadenosine. The TPSA of 85.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Methyl-2',3'-didehydro-2',3'-dideoxyadenosine. Following Lipinski's Rule of Five, N-Methyl-2',3'-didehydro-2',3'-dideoxyadenosine has 2 hydrogen bond donor(s) and 6 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-Methyl-2',3'-didehydro-2',3'-dideoxyadenosine?
The CAS number of N-Methyl-2',3'-didehydro-2',3'-dideoxyadenosine is 117723-67-8.
What is the molecular formula of N-Methyl-2',3'-didehydro-2',3'-dideoxyadenosine?
The molecular formula of N-Methyl-2',3'-didehydro-2',3'-dideoxyadenosine is C11H13N5O2.
What is the molecular weight of N-Methyl-2',3'-didehydro-2',3'-dideoxyadenosine?
The molecular weight of N-Methyl-2',3'-didehydro-2',3'-dideoxyadenosine is 247.11 g/mol.
Where can I buy N-Methyl-2',3'-didehydro-2',3'-dideoxyadenosine?
You can request a quote for N-Methyl-2',3'-didehydro-2',3'-dideoxyadenosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Methyl-2',3'-didehydro-2',3'-dideoxyadenosine?
Yes, KEHONG BIO provides custom synthesis services for N-Methyl-2',3'-didehydro-2',3'-dideoxyadenosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.