3'-Benzylamino-3'-deoxyadenosine
TL;DR: 3'-Benzylamino-3'-deoxyadenosine (CAS 134934-82-0) is a chemical compound with molecular formula C17H20N6O3 and molecular weight 356.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S,4S,5S)-2-(6-aminopurin-9-yl)-4-(benzylamino)-5-(hydroxymethyl)oxolan-3-ol
Also Known As: 3'-Benzylamino-dA, 3'-Benzylamino-3'-deoxyadenosine, 9H-Purin-6-amine, 9-(3-deoxy-3-((phenylmethyl)amino)-beta-D-arabinofuranosyl)-, (2R,3S,4S,5S)-2-(6-aminopurin-9-yl)-4-(benzylamino)-5-(hydroxymethyl)oxolan-3-ol, 9-[3-(Benzylamino)-3-deoxy-beta-D-arabinofuranosyl]-9H-purin-6-amine
| Molecular Formula | C17H20N6O3 |
|---|---|
| Molecular Weight | 356.16 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 356.1597 |
| Heavy Atoms | 26 |
| Complexity | 466.0 |
Chemical Identifiers
| CAS Number | 134934-82-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN[C@@H]2[C@H](O[C@H]([C@H]2O)N3C=NC4=C(N=CN=C43)N)CO |
| InChIKey | GEJROYUZLQIIBW-ALYFQZSWSA-N |
Product Overview
3'-Benzylamino-3'-deoxyadenosine (CAS 134934-82-0), with molecular formula C17H20N6O3 and molecular weight 356.16 g/mol. IUPAC: (2R,3S,4S,5S)-2-(6-aminopurin-9-yl)-4-(benzylamino)-5-(hydroxymethyl)oxolan-3-ol.
Chemical Property Profile of 3'-Benzylamino-3'-deoxyadenosine
Property Insights of 3'-Benzylamino-3'-deoxyadenosine
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3'-Benzylamino-3'-deoxyadenosine. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3'-Benzylamino-3'-deoxyadenosine. Following Lipinski's Rule of Five, 3'-Benzylamino-3'-deoxyadenosine has 4 hydrogen bond donor(s) and 8 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 3'-Benzylamino-3'-deoxyadenosine?
The CAS number of 3'-Benzylamino-3'-deoxyadenosine is 134934-82-0.
What is the molecular formula of 3'-Benzylamino-3'-deoxyadenosine?
The molecular formula of 3'-Benzylamino-3'-deoxyadenosine is C17H20N6O3.
What is the molecular weight of 3'-Benzylamino-3'-deoxyadenosine?
The molecular weight of 3'-Benzylamino-3'-deoxyadenosine is 356.16 g/mol.
Where can I buy 3'-Benzylamino-3'-deoxyadenosine?
You can request a quote for 3'-Benzylamino-3'-deoxyadenosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-Benzylamino-3'-deoxyadenosine?
Yes, KEHONG BIO provides custom synthesis services for 3'-Benzylamino-3'-deoxyadenosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.