2-Chloro-N-cyclopropyl-2'-deoxyadenosine
TL;DR: 2-Chloro-N-cyclopropyl-2'-deoxyadenosine (CAS 215108-36-4) is a chemical compound with molecular formula C13H16ClN5O3 and molecular weight 325.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S,5R)-5-[2-chloro-6-(cyclopropylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
Also Known As: 2-Chloro-N-cyclopropyl-2'-deoxyadenosine, Adenosine,2-chloro-N-cyclopropyl-2'-deoxy, 2-Chloro-N-cyclopropyl-2 -deoxyadenosine, Adenosine, 2-chloro-N-cyclopropyl-2'-deoxy-, J1.273.493J
| Molecular Formula | C13H16ClN5O3 |
|---|---|
| Molecular Weight | 325.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 325.09418 |
| Heavy Atoms | 22 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 215108-36-4 |
|---|---|
| SMILES | C1CC1NC2=C3C(=NC(=N2)Cl)N(C=N3)[C@H]4C[C@@H]([C@H](O4)CO)O |
| InChIKey | YJMBVALXDOYQIL-DJLDLDEBSA-N |
Product Overview
2-Chloro-N-cyclopropyl-2'-deoxyadenosine (CAS 215108-36-4), with molecular formula C13H16ClN5O3 and molecular weight 325.09 g/mol. IUPAC: (2R,3S,5R)-5-[2-chloro-6-(cyclopropylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol.
Chemical Property Profile of 2-Chloro-N-cyclopropyl-2'-deoxyadenosine
Property Insights of 2-Chloro-N-cyclopropyl-2'-deoxyadenosine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-N-cyclopropyl-2'-deoxyadenosine. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-N-cyclopropyl-2'-deoxyadenosine. Following Lipinski's Rule of Five, 2-Chloro-N-cyclopropyl-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-Chloro-N-cyclopropyl-2'-deoxyadenosine?
The CAS number of 2-Chloro-N-cyclopropyl-2'-deoxyadenosine is 215108-36-4.
What is the molecular formula of 2-Chloro-N-cyclopropyl-2'-deoxyadenosine?
The molecular formula of 2-Chloro-N-cyclopropyl-2'-deoxyadenosine is C13H16ClN5O3.
What is the molecular weight of 2-Chloro-N-cyclopropyl-2'-deoxyadenosine?
The molecular weight of 2-Chloro-N-cyclopropyl-2'-deoxyadenosine is 325.09 g/mol.
Where can I buy 2-Chloro-N-cyclopropyl-2'-deoxyadenosine?
You can request a quote for 2-Chloro-N-cyclopropyl-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-Chloro-N-cyclopropyl-2'-deoxyadenosine?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-N-cyclopropyl-2'-deoxyadenosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.