T(sub 52)
TL;DR: T(sub 52) (CAS 3737-44-8) is a chemical compound with molecular formula C10H11N5O2S and molecular weight 265.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl thiocyanate
Also Known As: T(sub 52), 4-26-00-02363 (Beilstein Handbook Reference), 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl thiocyanate, Thiocyanic acid, 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl ester, AE-641/10447009
| Molecular Formula | C10H11N5O2S |
|---|---|
| Molecular Weight | 265.06 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 265.06335 |
| Heavy Atoms | 18 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 3737-44-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCSC#N |
| InChIKey | UMTCUOGPPFMKEN-UHFFFAOYSA-N |
Product Overview
T(sub 52) (CAS 3737-44-8), with molecular formula C10H11N5O2S and molecular weight 265.06 g/mol. IUPAC: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl thiocyanate.
Chemical Property Profile of T(sub 52)
Property Insights of T(sub 52)
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for T(sub 52). The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for T(sub 52). Following Lipinski's Rule of Five, T(sub 52) has 0 hydrogen bond donor(s) and 5 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 T(sub 52)?
The CAS number of T(sub 52) is 3737-44-8.
What is the molecular formula of T(sub 52)?
The molecular formula of T(sub 52) is C10H11N5O2S.
What is the molecular weight of T(sub 52)?
The molecular weight of T(sub 52) is 265.06 g/mol.
Where can I buy T(sub 52)?
You can request a quote for T(sub 52) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for T(sub 52)?
Yes, KEHONG BIO provides custom synthesis services for T(sub 52) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.