2-(6-Amino-2-chloropurin-9-yl)-5-(butylsulfanylmethyl)oxolane-3,4-diol
TL;DR: 2-(6-Amino-2-chloropurin-9-yl)-5-(butylsulfanylmethyl)oxolane-3,4-diol (CAS 53458-21-2) is a chemical compound with molecular formula C14H20ClN5O3S and molecular weight 373.10 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-(butylsulfanylmethyl)oxolane-3,4-diol
Also Known As: 2-(6-amino-2-chloropurin-9-yl)-5-(butylsulfanylmethyl)oxolane-3,4-diol, 9-(5-S-Butyl-5-thiopentofuranosyl)-2-chloro-9H-purin-6-amine
| Molecular Formula | C14H20ClN5O3S |
|---|---|
| Molecular Weight | 373.10 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 373.09753 |
| Heavy Atoms | 24 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 53458-21-2 |
|---|---|
| SMILES | CCCCSCC1C(C(C(O1)N2C=NC3=C(N=C(N=C32)Cl)N)O)O |
| InChIKey | UHUUFZRMGIEYPU-UHFFFAOYSA-N |
Product Overview
2-(6-Amino-2-chloropurin-9-yl)-5-(butylsulfanylmethyl)oxolane-3,4-diol (CAS 53458-21-2), with molecular formula C14H20ClN5O3S and molecular weight 373.10 g/mol. IUPAC: 2-(6-amino-2-chloropurin-9-yl)-5-(butylsulfanylmethyl)oxolane-3,4-diol.
Chemical Property Profile of 2-(6-Amino-2-chloropurin-9-yl)-5-(butylsulfanylmethyl)oxolane-3,4-diol
Property Insights of 2-(6-Amino-2-chloropurin-9-yl)-5-(butylsulfanylmethyl)oxolane-3,4-diol
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(6-Amino-2-chloropurin-9-yl)-5-(butylsulfanylmethyl)oxolane-3,4-diol. The TPSA of 145.0 Ų indicates high polarity, suggesting 2-(6-Amino-2-chloropurin-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-chloropurin-9-yl)-5-(butylsulfanylmethyl)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-(butylsulfanylmethyl)oxolane-3,4-diol?
The CAS number of 2-(6-Amino-2-chloropurin-9-yl)-5-(butylsulfanylmethyl)oxolane-3,4-diol is 53458-21-2.
What is the molecular formula of 2-(6-Amino-2-chloropurin-9-yl)-5-(butylsulfanylmethyl)oxolane-3,4-diol?
The molecular formula of 2-(6-Amino-2-chloropurin-9-yl)-5-(butylsulfanylmethyl)oxolane-3,4-diol is C14H20ClN5O3S.
What is the molecular weight of 2-(6-Amino-2-chloropurin-9-yl)-5-(butylsulfanylmethyl)oxolane-3,4-diol?
The molecular weight of 2-(6-Amino-2-chloropurin-9-yl)-5-(butylsulfanylmethyl)oxolane-3,4-diol is 373.10 g/mol.
Where can I buy 2-(6-Amino-2-chloropurin-9-yl)-5-(butylsulfanylmethyl)oxolane-3,4-diol?
You can request a quote for 2-(6-Amino-2-chloropurin-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-chloropurin-9-yl)-5-(butylsulfanylmethyl)oxolane-3,4-diol?
Yes, KEHONG BIO provides custom synthesis services for 2-(6-Amino-2-chloropurin-9-yl)-5-(butylsulfanylmethyl)oxolane-3,4-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.