5'-Difluoromethylthioadenosine
TL;DR: 5'-Difluoromethylthioadenosine (CAS 112606-73-2) is a chemical compound with molecular formula C11H13F2N5O3S and molecular weight 333.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(2,2-difluoro-1-sulfanylethyl)oxolane-3,4-diol
Also Known As: 5-Dfmtda, 5'-Dfmta, 5'-Difluoromethylthioadenosine, 5'-Difluoromethylthio-5'-deoxyadenosine, Dodecanamide,N-(1-oxododecyl)
| Molecular Formula | C11H13F2N5O3S |
|---|---|
| Molecular Weight | 333.07 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.0707 |
| Heavy Atoms | 22 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 112606-73-2 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(C(F)F)S)O)O)N |
| InChIKey | QZHQGSPDUXGGIV-ZOXFDYRRSA-N |
Product Overview
5'-Difluoromethylthioadenosine (CAS 112606-73-2), with molecular formula C11H13F2N5O3S and molecular weight 333.07 g/mol. IUPAC: (2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(2,2-difluoro-1-sulfanylethyl)oxolane-3,4-diol.
Chemical Property Profile of 5'-Difluoromethylthioadenosine
Property Insights of 5'-Difluoromethylthioadenosine
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5'-Difluoromethylthioadenosine. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5'-Difluoromethylthioadenosine. Following Lipinski's Rule of Five, 5'-Difluoromethylthioadenosine has 4 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 5'-Difluoromethylthioadenosine?
The CAS number of 5'-Difluoromethylthioadenosine is 112606-73-2.
What is the molecular formula of 5'-Difluoromethylthioadenosine?
The molecular formula of 5'-Difluoromethylthioadenosine is C11H13F2N5O3S.
What is the molecular weight of 5'-Difluoromethylthioadenosine?
The molecular weight of 5'-Difluoromethylthioadenosine is 333.07 g/mol.
Where can I buy 5'-Difluoromethylthioadenosine?
You can request a quote for 5'-Difluoromethylthioadenosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5'-Difluoromethylthioadenosine?
Yes, KEHONG BIO provides custom synthesis services for 5'-Difluoromethylthioadenosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.