3-Deaza-siba
TL;DR: 3-Deaza-siba (CAS 67377-76-8) is a chemical compound with molecular formula C15H22N4O3S and molecular weight 338.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(2-methylpropylsulfanylmethyl)oxolane-3,4-diol
Also Known As: 3-Deaza-siba, S-Isobutyryl-3-deaza-adenosine, 5'-Deoxy-5'-(isobutylthio)-3-deazaadenosine, NCI60_002703, 2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(2-methylpropylsulfanylmethyl)oxolane-3,4-diol
| Molecular Formula | C15H22N4O3S |
|---|---|
| Molecular Weight | 338.14 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 338.14127 |
| Heavy Atoms | 23 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 67377-76-8 |
|---|---|
| SMILES | CC(C)CSCC1C(C(C(O1)N2C=NC3=C2C=CN=C3N)O)O |
| InChIKey | XDBKDRRIZBSEDB-UHFFFAOYSA-N |
Product Overview
3-Deaza-siba (CAS 67377-76-8), with molecular formula C15H22N4O3S and molecular weight 338.14 g/mol. IUPAC: 2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(2-methylpropylsulfanylmethyl)oxolane-3,4-diol.
Chemical Property Profile of 3-Deaza-siba
Property Insights of 3-Deaza-siba
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Deaza-siba. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Deaza-siba. Following Lipinski's Rule of Five, 3-Deaza-siba has 3 hydrogen bond donor(s) and 7 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 3-Deaza-siba?
The CAS number of 3-Deaza-siba is 67377-76-8.
What is the molecular formula of 3-Deaza-siba?
The molecular formula of 3-Deaza-siba is C15H22N4O3S.
What is the molecular weight of 3-Deaza-siba?
The molecular weight of 3-Deaza-siba is 338.14 g/mol.
Where can I buy 3-Deaza-siba?
You can request a quote for 3-Deaza-siba directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Deaza-siba?
Yes, KEHONG BIO provides custom synthesis services for 3-Deaza-siba and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.