9-(4-(1,2-dihydroxyethyl)cyclopent-2-en-1-yl)-9H-adenine
TL;DR: 9-(4-(1,2-dihydroxyethyl)cyclopent-2-en-1-yl)-9H-adenine (CAS 148179-99-1) is a chemical compound with molecular formula C12H15N5O2 and molecular weight 261.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]ethane-1,2-diol
Also Known As: Bca-DH, 9-(4- -9H-adenine, 9-(4-(1,2-Dihydroxyethyl)cyclopent-2-en-1-yl)-9H-adenine, 1-[4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]ethane-1,2-diol, 9-(c-4-(1,2-Dihydroxyethyl)cyclopent-2-en-r-1-yl)-9H-adenine
| Molecular Formula | C12H15N5O2 |
|---|---|
| Molecular Weight | 261.12 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.1226 |
| Heavy Atoms | 19 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 148179-99-1 |
|---|---|
| SMILES | C1C(C=CC1N2C=NC3=C(N=CN=C32)N)C(CO)O |
| InChIKey | GPDOSRMBOXOSCD-UHFFFAOYSA-N |
Product Overview
9-(4-(1,2-dihydroxyethyl)cyclopent-2-en-1-yl)-9H-adenine (CAS 148179-99-1), with molecular formula C12H15N5O2 and molecular weight 261.12 g/mol. IUPAC: 1-[4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]ethane-1,2-diol.
Chemical Property Profile of 9-(4-(1,2-dihydroxyethyl)cyclopent-2-en-1-yl)-9H-adenine
Property Insights of 9-(4-(1,2-dihydroxyethyl)cyclopent-2-en-1-yl)-9H-adenine
The XLogP value of -0.4 indicates that 9-(4-(1,2-dihydroxyethyl)cyclopent-2-en-1-yl)-9H-adenine 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 9-(4-(1,2-dihydroxyethyl)cyclopent-2-en-1-yl)-9H-adenine. Following Lipinski's Rule of Five, 9-(4-(1,2-dihydroxyethyl)cyclopent-2-en-1-yl)-9H-adenine 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 9-(4-(1,2-dihydroxyethyl)cyclopent-2-en-1-yl)-9H-adenine?
The CAS number of 9-(4-(1,2-dihydroxyethyl)cyclopent-2-en-1-yl)-9H-adenine is 148179-99-1.
What is the molecular formula of 9-(4-(1,2-dihydroxyethyl)cyclopent-2-en-1-yl)-9H-adenine?
The molecular formula of 9-(4-(1,2-dihydroxyethyl)cyclopent-2-en-1-yl)-9H-adenine is C12H15N5O2.
What is the molecular weight of 9-(4-(1,2-dihydroxyethyl)cyclopent-2-en-1-yl)-9H-adenine?
The molecular weight of 9-(4-(1,2-dihydroxyethyl)cyclopent-2-en-1-yl)-9H-adenine is 261.12 g/mol.
Where can I buy 9-(4-(1,2-dihydroxyethyl)cyclopent-2-en-1-yl)-9H-adenine?
You can request a quote for 9-(4-(1,2-dihydroxyethyl)cyclopent-2-en-1-yl)-9H-adenine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-(4-(1,2-dihydroxyethyl)cyclopent-2-en-1-yl)-9H-adenine?
Yes, KEHONG BIO provides custom synthesis services for 9-(4-(1,2-dihydroxyethyl)cyclopent-2-en-1-yl)-9H-adenine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.