2-(6-Amino-9H-purin-9-yl)-1,4-butanediol
TL;DR: 2-(6-Amino-9H-purin-9-yl)-1,4-butanediol (CAS 145107-13-7) is a chemical compound with molecular formula C9H13N5O2 and molecular weight 223.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-aminopurin-9-yl)butane-1,4-diol
Also Known As: 2-(6-aminopurin-9-yl)butane-1,4-diol, 2-(6-Amino-9H-purin-9-yl)-1,4-butanediol, 6-amino-9-(1,4-dihydroxy-2-butyl)purine, 1,4-Butanediol, 2-(6-amino-9H-purin-9-yl)-, 2-(6-amino-purin-9-yl)-butane-1,4-diol
| Molecular Formula | C9H13N5O2 |
|---|---|
| Molecular Weight | 223.11 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 223.10692 |
| Heavy Atoms | 16 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 145107-13-7 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N(C=N2)C(CCO)CO)N |
| InChIKey | VKKRRDRZIKRXDH-UHFFFAOYSA-N |
Product Overview
2-(6-Amino-9H-purin-9-yl)-1,4-butanediol (CAS 145107-13-7), with molecular formula C9H13N5O2 and molecular weight 223.11 g/mol. IUPAC: 2-(6-aminopurin-9-yl)butane-1,4-diol.
Chemical Property Profile of 2-(6-Amino-9H-purin-9-yl)-1,4-butanediol
Property Insights of 2-(6-Amino-9H-purin-9-yl)-1,4-butanediol
The XLogP value of -1.1 indicates that 2-(6-Amino-9H-purin-9-yl)-1,4-butanediol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(6-Amino-9H-purin-9-yl)-1,4-butanediol. Following Lipinski's Rule of Five, 2-(6-Amino-9H-purin-9-yl)-1,4-butanediol has 3 hydrogen bond donor(s) and 6 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-9H-purin-9-yl)-1,4-butanediol?
The CAS number of 2-(6-Amino-9H-purin-9-yl)-1,4-butanediol is 145107-13-7.
What is the molecular formula of 2-(6-Amino-9H-purin-9-yl)-1,4-butanediol?
The molecular formula of 2-(6-Amino-9H-purin-9-yl)-1,4-butanediol is C9H13N5O2.
What is the molecular weight of 2-(6-Amino-9H-purin-9-yl)-1,4-butanediol?
The molecular weight of 2-(6-Amino-9H-purin-9-yl)-1,4-butanediol is 223.11 g/mol.
Where can I buy 2-(6-Amino-9H-purin-9-yl)-1,4-butanediol?
You can request a quote for 2-(6-Amino-9H-purin-9-yl)-1,4-butanediol 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-9H-purin-9-yl)-1,4-butanediol?
Yes, KEHONG BIO provides custom synthesis services for 2-(6-Amino-9H-purin-9-yl)-1,4-butanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.