1,3-Butanediol, 4-(6-amino-9H-purin-9-yl)-
TL;DR: 1,3-Butanediol, 4-(6-amino-9H-purin-9-yl)- (CAS 95833-22-0) 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.
4-(6-aminopurin-9-yl)butane-1,3-diol
Also Known As: HOCH2CH2CHOH-CH2-adenine, 9-(2,4-Dihydroxybutyl)-adenine (R,S), 4-(6-aminopurin-9-yl)butane-1,3-diol, 1,3-Butanediol, 4-(6-amino-9H-purin-9-yl)-, 1,3-Butanediol, 4-(6-amino-9H-purin-9-yl)-, (1)-
| 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 | 95833-22-0 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N(C=N2)CC(CCO)O)N |
| InChIKey | VEMWCHIVCRJWQI-UHFFFAOYSA-N |
Product Overview
1,3-Butanediol, 4-(6-amino-9H-purin-9-yl)- (CAS 95833-22-0), with molecular formula C9H13N5O2 and molecular weight 223.11 g/mol. IUPAC: 4-(6-aminopurin-9-yl)butane-1,3-diol.
Chemical Property Profile of 1,3-Butanediol, 4-(6-amino-9H-purin-9-yl)-
Property Insights of 1,3-Butanediol, 4-(6-amino-9H-purin-9-yl)-
The XLogP value of -1.1 indicates that 1,3-Butanediol, 4-(6-amino-9H-purin-9-yl)- 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 1,3-Butanediol, 4-(6-amino-9H-purin-9-yl)-. Following Lipinski's Rule of Five, 1,3-Butanediol, 4-(6-amino-9H-purin-9-yl)- 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 1,3-Butanediol, 4-(6-amino-9H-purin-9-yl)-?
The CAS number of 1,3-Butanediol, 4-(6-amino-9H-purin-9-yl)- is 95833-22-0.
What is the molecular formula of 1,3-Butanediol, 4-(6-amino-9H-purin-9-yl)-?
The molecular formula of 1,3-Butanediol, 4-(6-amino-9H-purin-9-yl)- is C9H13N5O2.
What is the molecular weight of 1,3-Butanediol, 4-(6-amino-9H-purin-9-yl)-?
The molecular weight of 1,3-Butanediol, 4-(6-amino-9H-purin-9-yl)- is 223.11 g/mol.
Where can I buy 1,3-Butanediol, 4-(6-amino-9H-purin-9-yl)-?
You can request a quote for 1,3-Butanediol, 4-(6-amino-9H-purin-9-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Butanediol, 4-(6-amino-9H-purin-9-yl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Butanediol, 4-(6-amino-9H-purin-9-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.