EINECS 227-474-3
TL;DR: EINECS 227-474-3 (CAS 5856-48-4) is a chemical compound with molecular formula C13H16N4O4S and molecular weight 324.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-[(3aR,4R,6R,6aS)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3H-purine-6-thione
Also Known As: EINECS 227-474-3, 2',3'-O-Isopropylidene-6-thioinosine, 9-[(3aR,4R,6R,6aS)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3H-purine-6-thione
| Molecular Formula | C13H16N4O4S |
|---|---|
| Molecular Weight | 324.09 g/mol |
| LogP | 0.89869 |
| Topological Polar Surface Area | 94.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 324.08923 |
| Heavy Atoms | 22 |
| Complexity | 772.731 |
Chemical Identifiers
| CAS Number | 5856-48-4 |
|---|---|
| SMILES | CC1(O[C@H]2[C@H](O[C@H]([C@@H]2O1)N3C=NC4=C3NC=NC4=S)CO)C |
Product Overview
EINECS 227-474-3 (CAS 5856-48-4), with molecular formula C13H16N4O4S and molecular weight 324.09 g/mol. IUPAC: 9-[(3aR,4R,6R,6aS)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3H-purine-6-thione.
Chemical Property Profile of EINECS 227-474-3
Property Insights of EINECS 227-474-3
The XLogP value of 0.89869 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 227-474-3. The TPSA of 94.42 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 227-474-3. Following Lipinski's Rule of Five, EINECS 227-474-3 has 2 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 EINECS 227-474-3?
The CAS number of EINECS 227-474-3 is 5856-48-4.
What is the molecular formula of EINECS 227-474-3?
The molecular formula of EINECS 227-474-3 is C13H16N4O4S.
What is the molecular weight of EINECS 227-474-3?
The molecular weight of EINECS 227-474-3 is 324.09 g/mol.
Where can I buy EINECS 227-474-3?
You can request a quote for EINECS 227-474-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 227-474-3?
Yes, KEHONG BIO provides custom synthesis services for EINECS 227-474-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.