Benzylthioguanosine
TL;DR: Benzylthioguanosine (CAS 66975-01-7) is a chemical compound with molecular formula C17H19N5O4S and molecular weight 389.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-amino-6-benzylsulfanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Also Known As: Benzythioguanosine, BTGR, Benzylthioguanosine, Benzylthioquanosine, Guanosine, 6-S-(phenylmethyl)-6-thio-
| Molecular Formula | C17H19N5O4S |
|---|---|
| Molecular Weight | 389.12 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 165.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 389.11578 |
| Heavy Atoms | 27 |
| Complexity | 500.0 |
Chemical Identifiers
| CAS Number | 66975-01-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)N |
| InChIKey | HEWUQFYYFBVBKP-UHFFFAOYSA-N |
Product Overview
Benzylthioguanosine (CAS 66975-01-7), with molecular formula C17H19N5O4S and molecular weight 389.12 g/mol. IUPAC: 2-(2-amino-6-benzylsulfanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol.
Chemical Property Profile of Benzylthioguanosine
Property Insights of Benzylthioguanosine
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzylthioguanosine. The TPSA of 165.0 Ų indicates high polarity, suggesting Benzylthioguanosine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzylthioguanosine has 4 hydrogen bond donor(s) and 9 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 Benzylthioguanosine?
The CAS number of Benzylthioguanosine is 66975-01-7.
What is the molecular formula of Benzylthioguanosine?
The molecular formula of Benzylthioguanosine is C17H19N5O4S.
What is the molecular weight of Benzylthioguanosine?
The molecular weight of Benzylthioguanosine is 389.12 g/mol.
Where can I buy Benzylthioguanosine?
You can request a quote for Benzylthioguanosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzylthioguanosine?
Yes, KEHONG BIO provides custom synthesis services for Benzylthioguanosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.