2-Bromo-2'-deoxyadenosine
TL;DR: 2-Bromo-2'-deoxyadenosine (CAS 89178-21-2) is a chemical compound with molecular formula C10H12BrN5O3 and molecular weight 329.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,5R)-5-(6-amino-2-bromopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
Also Known As: BrdAdo, 2-Bromo-2'-deoxyadenosine, 2'-deoxy-2-bromoadenosine, ADENOSINE, 2-BROMO-2'-DEOXY-, (2R,5R)-5-(6-amino-2-bromopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
| Molecular Formula | C10H12BrN5O3 |
|---|---|
| Molecular Weight | 329.01 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 329.01236 |
| Heavy Atoms | 19 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 89178-21-2 |
|---|---|
| SMILES | C1[C@@H](O[C@@H](C1O)CO)N2C=NC3=C(N=C(N=C32)Br)N |
| InChIKey | UYDKYWTWCPKLJR-YSLANXFLSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromo-2'-deoxyadenosine (CAS 89178-21-2), with molecular formula C10H12BrN5O3 and molecular weight 329.01 g/mol. IUPAC: (2R,5R)-5-(6-amino-2-bromopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol.
Chemical Property Profile of 2-Bromo-2'-deoxyadenosine
Property Insights of 2-Bromo-2'-deoxyadenosine
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-2'-deoxyadenosine. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Bromo-2'-deoxyadenosine. Following Lipinski's Rule of Five, 2-Bromo-2'-deoxyadenosine has 3 hydrogen bond donor(s) and 7 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-Bromo-2'-deoxyadenosine?
The CAS number of 2-Bromo-2'-deoxyadenosine is 89178-21-2.
What is the molecular formula of 2-Bromo-2'-deoxyadenosine?
The molecular formula of 2-Bromo-2'-deoxyadenosine is C10H12BrN5O3.
What is the molecular weight of 2-Bromo-2'-deoxyadenosine?
The molecular weight of 2-Bromo-2'-deoxyadenosine is 329.01 g/mol.
Where can I buy 2-Bromo-2'-deoxyadenosine?
You can request a quote for 2-Bromo-2'-deoxyadenosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-2'-deoxyadenosine?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-2'-deoxyadenosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.