5'-deoxy-5'-S-isobutylthioadenosine
TL;DR: 5'-deoxy-5'-S-isobutylthioadenosine (CAS 37124-07-5) is a chemical compound with molecular formula C14H21N5O3S and molecular weight 339.14 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-methylpropylsulfanylmethyl)oxolane-3,4-diol
Also Known As: SIBA, 5'-S-Isobutylthioadenosine, 5'-ISOBUTYLTHIO-5'-DEOXYADENOSINE, 5'-Deoxy-5'-S-isobutyladenosine, 5'-isobutylthioadenosine
| Molecular Formula | C14H21N5O3S |
|---|---|
| Molecular Weight | 339.14 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.1365 |
| Heavy Atoms | 23 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 37124-07-5 |
|---|---|
| SMILES | CC(C)CSC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O |
| InChIKey | JDDUQGRUPLKDNT-IDTAVKCVSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5'-deoxy-5'-S-isobutylthioadenosine (CAS 37124-07-5), with molecular formula C14H21N5O3S and molecular weight 339.14 g/mol. IUPAC: (2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(2-methylpropylsulfanylmethyl)oxolane-3,4-diol.
Chemical Property Profile of 5'-deoxy-5'-S-isobutylthioadenosine
Property Insights of 5'-deoxy-5'-S-isobutylthioadenosine
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5'-deoxy-5'-S-isobutylthioadenosine. The TPSA of 145.0 Ų indicates high polarity, suggesting 5'-deoxy-5'-S-isobutylthioadenosine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5'-deoxy-5'-S-isobutylthioadenosine has 3 hydrogen bond donor(s) and 8 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'-deoxy-5'-S-isobutylthioadenosine?
The CAS number of 5'-deoxy-5'-S-isobutylthioadenosine is 37124-07-5.
What is the molecular formula of 5'-deoxy-5'-S-isobutylthioadenosine?
The molecular formula of 5'-deoxy-5'-S-isobutylthioadenosine is C14H21N5O3S.
What is the molecular weight of 5'-deoxy-5'-S-isobutylthioadenosine?
The molecular weight of 5'-deoxy-5'-S-isobutylthioadenosine is 339.14 g/mol.
Where can I buy 5'-deoxy-5'-S-isobutylthioadenosine?
You can request a quote for 5'-deoxy-5'-S-isobutylthioadenosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5'-deoxy-5'-S-isobutylthioadenosine?
Yes, KEHONG BIO provides custom synthesis services for 5'-deoxy-5'-S-isobutylthioadenosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.