2-(6-Amino-2-chloropurin-9-yl)-5-(ethylsulfanylmethyl)oxolane-3,4-diol
TL;DR: 2-(6-Amino-2-chloropurin-9-yl)-5-(ethylsulfanylmethyl)oxolane-3,4-diol (CAS 53458-20-1) is a chemical compound with molecular formula C12H16ClN5O3S and molecular weight 345.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-amino-2-chloropurin-9-yl)-5-(ethylsulfanylmethyl)oxolane-3,4-diol
Also Known As: 2-(6-amino-2-chloropurin-9-yl)-5-(ethylsulfanylmethyl)oxolane-3,4-diol, 2-chloro-9-(5-S-ethyl-5-thiopentofuranosyl)-9H-purin-6-amine
| Molecular Formula | C12H16ClN5O3S |
|---|---|
| Molecular Weight | 345.07 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 345.06622 |
| Heavy Atoms | 22 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 53458-20-1 |
|---|---|
| SMILES | CCSCC1C(C(C(O1)N2C=NC3=C(N=C(N=C32)Cl)N)O)O |
| InChIKey | YFVPJRUKWWGROP-UHFFFAOYSA-N |
Product Overview
2-(6-Amino-2-chloropurin-9-yl)-5-(ethylsulfanylmethyl)oxolane-3,4-diol (CAS 53458-20-1), with molecular formula C12H16ClN5O3S and molecular weight 345.07 g/mol. IUPAC: 2-(6-amino-2-chloropurin-9-yl)-5-(ethylsulfanylmethyl)oxolane-3,4-diol.
Chemical Property Profile of 2-(6-Amino-2-chloropurin-9-yl)-5-(ethylsulfanylmethyl)oxolane-3,4-diol
Property Insights of 2-(6-Amino-2-chloropurin-9-yl)-5-(ethylsulfanylmethyl)oxolane-3,4-diol
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(6-Amino-2-chloropurin-9-yl)-5-(ethylsulfanylmethyl)oxolane-3,4-diol. The TPSA of 145.0 Ų indicates high polarity, suggesting 2-(6-Amino-2-chloropurin-9-yl)-5-(ethylsulfanylmethyl)oxolane-3,4-diol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(6-Amino-2-chloropurin-9-yl)-5-(ethylsulfanylmethyl)oxolane-3,4-diol has 3 hydrogen bond donor(s) and 8 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-chloropurin-9-yl)-5-(ethylsulfanylmethyl)oxolane-3,4-diol?
The CAS number of 2-(6-Amino-2-chloropurin-9-yl)-5-(ethylsulfanylmethyl)oxolane-3,4-diol is 53458-20-1.
What is the molecular formula of 2-(6-Amino-2-chloropurin-9-yl)-5-(ethylsulfanylmethyl)oxolane-3,4-diol?
The molecular formula of 2-(6-Amino-2-chloropurin-9-yl)-5-(ethylsulfanylmethyl)oxolane-3,4-diol is C12H16ClN5O3S.
What is the molecular weight of 2-(6-Amino-2-chloropurin-9-yl)-5-(ethylsulfanylmethyl)oxolane-3,4-diol?
The molecular weight of 2-(6-Amino-2-chloropurin-9-yl)-5-(ethylsulfanylmethyl)oxolane-3,4-diol is 345.07 g/mol.
Where can I buy 2-(6-Amino-2-chloropurin-9-yl)-5-(ethylsulfanylmethyl)oxolane-3,4-diol?
You can request a quote for 2-(6-Amino-2-chloropurin-9-yl)-5-(ethylsulfanylmethyl)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-chloropurin-9-yl)-5-(ethylsulfanylmethyl)oxolane-3,4-diol?
Yes, KEHONG BIO provides custom synthesis services for 2-(6-Amino-2-chloropurin-9-yl)-5-(ethylsulfanylmethyl)oxolane-3,4-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.