2-(6-Amino-2-butylsulfanylpurin-9-yl)-5-(butylsulfanylmethyl)oxolane-3,4-diol
TL;DR: 2-(6-Amino-2-butylsulfanylpurin-9-yl)-5-(butylsulfanylmethyl)oxolane-3,4-diol (CAS 53458-27-8) is a chemical compound with molecular formula C18H29N5O3S2 and molecular weight 427.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-amino-2-butylsulfanylpurin-9-yl)-5-(butylsulfanylmethyl)oxolane-3,4-diol
Also Known As: 2-(6-amino-2-butylsulfanylpurin-9-yl)-5-(butylsulfanylmethyl)oxolane-3,4-diol, 2-(butylsulfanyl)-9-(5-S-butyl-5-thiopentofuranosyl)-9H-purin-6-amine
| Molecular Formula | C18H29N5O3S2 |
|---|---|
| Molecular Weight | 427.17 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 170.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 427.17117 |
| Heavy Atoms | 28 |
| Complexity | 481.0 |
Chemical Identifiers
| CAS Number | 53458-27-8 |
|---|---|
| SMILES | CCCCSCC1C(C(C(O1)N2C=NC3=C(N=C(N=C32)SCCCC)N)O)O |
| InChIKey | SCOLLVOMXJBFAM-UHFFFAOYSA-N |
Product Overview
2-(6-Amino-2-butylsulfanylpurin-9-yl)-5-(butylsulfanylmethyl)oxolane-3,4-diol (CAS 53458-27-8), with molecular formula C18H29N5O3S2 and molecular weight 427.17 g/mol. IUPAC: 2-(6-amino-2-butylsulfanylpurin-9-yl)-5-(butylsulfanylmethyl)oxolane-3,4-diol.
Chemical Property Profile of 2-(6-Amino-2-butylsulfanylpurin-9-yl)-5-(butylsulfanylmethyl)oxolane-3,4-diol
Property Insights of 2-(6-Amino-2-butylsulfanylpurin-9-yl)-5-(butylsulfanylmethyl)oxolane-3,4-diol
The XLogP value of 3.1 indicates that 2-(6-Amino-2-butylsulfanylpurin-9-yl)-5-(butylsulfanylmethyl)oxolane-3,4-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 170.0 Ų indicates high polarity, suggesting 2-(6-Amino-2-butylsulfanylpurin-9-yl)-5-(butylsulfanylmethyl)oxolane-3,4-diol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(6-Amino-2-butylsulfanylpurin-9-yl)-5-(butylsulfanylmethyl)oxolane-3,4-diol has 3 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 2-(6-Amino-2-butylsulfanylpurin-9-yl)-5-(butylsulfanylmethyl)oxolane-3,4-diol?
The CAS number of 2-(6-Amino-2-butylsulfanylpurin-9-yl)-5-(butylsulfanylmethyl)oxolane-3,4-diol is 53458-27-8.
What is the molecular formula of 2-(6-Amino-2-butylsulfanylpurin-9-yl)-5-(butylsulfanylmethyl)oxolane-3,4-diol?
The molecular formula of 2-(6-Amino-2-butylsulfanylpurin-9-yl)-5-(butylsulfanylmethyl)oxolane-3,4-diol is C18H29N5O3S2.
What is the molecular weight of 2-(6-Amino-2-butylsulfanylpurin-9-yl)-5-(butylsulfanylmethyl)oxolane-3,4-diol?
The molecular weight of 2-(6-Amino-2-butylsulfanylpurin-9-yl)-5-(butylsulfanylmethyl)oxolane-3,4-diol is 427.17 g/mol.
Where can I buy 2-(6-Amino-2-butylsulfanylpurin-9-yl)-5-(butylsulfanylmethyl)oxolane-3,4-diol?
You can request a quote for 2-(6-Amino-2-butylsulfanylpurin-9-yl)-5-(butylsulfanylmethyl)oxolane-3,4-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(6-Amino-2-butylsulfanylpurin-9-yl)-5-(butylsulfanylmethyl)oxolane-3,4-diol?
Yes, KEHONG BIO provides custom synthesis services for 2-(6-Amino-2-butylsulfanylpurin-9-yl)-5-(butylsulfanylmethyl)oxolane-3,4-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.