HOCH2CH=HC-CH2-adenine
TL;DR: HOCH2CH=HC-CH2-adenine (CAS 114978-80-2) is a chemical compound with molecular formula C9H11N5O and molecular weight 205.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-4-(6-aminopurin-9-yl)but-2-en-1-ol
Also Known As: HOCH2CH=HC-CH2-adenine, 9-(4-Hydroxy-2-buten)adenine (Z), (Z)-4-(6-aminopurin-9-yl)but-2-en-1-ol, 4-(6-Amino-purin-9-yl)-but-2-en-1-ol, 6-Amino-9H-purine-9-[(Z)-2-butene-1-ol]
| Molecular Formula | C9H11N5O |
|---|---|
| Molecular Weight | 205.10 g/mol |
| LogP | -0.043 |
| Topological Polar Surface Area | 89.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 205.09636 |
| Heavy Atoms | 15 |
| Complexity | 490.2084 |
Chemical Identifiers
| CAS Number | 114978-80-2 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N(C=N2)C/C=C\CO)N |
Product Overview
HOCH2CH=HC-CH2-adenine (CAS 114978-80-2), with molecular formula C9H11N5O and molecular weight 205.10 g/mol. IUPAC: (Z)-4-(6-aminopurin-9-yl)but-2-en-1-ol.
Chemical Property Profile of HOCH2CH=HC-CH2-adenine
Property Insights of HOCH2CH=HC-CH2-adenine
The XLogP value of -0.043 indicates that HOCH2CH=HC-CH2-adenine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 89.85 Ų falls within the moderate polarity range, balancing permeability and solubility for HOCH2CH=HC-CH2-adenine. Following Lipinski's Rule of Five, HOCH2CH=HC-CH2-adenine has 2 hydrogen bond donor(s) and 5 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 HOCH2CH=HC-CH2-adenine?
The CAS number of HOCH2CH=HC-CH2-adenine is 114978-80-2.
What is the molecular formula of HOCH2CH=HC-CH2-adenine?
The molecular formula of HOCH2CH=HC-CH2-adenine is C9H11N5O.
What is the molecular weight of HOCH2CH=HC-CH2-adenine?
The molecular weight of HOCH2CH=HC-CH2-adenine is 205.10 g/mol.
Where can I buy HOCH2CH=HC-CH2-adenine?
You can request a quote for HOCH2CH=HC-CH2-adenine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for HOCH2CH=HC-CH2-adenine?
Yes, KEHONG BIO provides custom synthesis services for HOCH2CH=HC-CH2-adenine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.