1,N(6)-Propanodeoxyadenosine
TL;DR: 1,N(6)-Propanodeoxyadenosine (CAS 132461-42-8) is a chemical compound with molecular formula C13H17N5O4 and molecular weight 307.12805 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-8,9-dihydro-7H-pyrimido[2,1-f]purin-9-ol
Also Known As: 1,N(6)-Propanodeoxyadenosine, 1,N(6)-Pda, J1.997.602E, 3-(2-Deoxy-beta-D-erythro-pentofuranosyl)-3,7,8,9-tetrahydropyrimido(2,1-i)purin-9-ol, 3-(2-Deoxypentofuranosyl)-3,7,8,9-tetrahydropyrimido[2,1-i]purin-9-ol
Technical Specifications
| Molecular Formula | C13H17N5O4 |
| Molecular Weight | 307.12805 g/mol |
| XLogP | -1.5 |
| Topological Polar Surface Area (TPSA) | 116.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 307.12805 Da |
| Heavy Atoms | 22 |
| Complexity | 501.0 |
| SMILES | C1CN2C=NC3=C(C2=NC1O)N=CN3[C@H]4C[C@@H]([C@H](O4)CO)O |
| InChIKey | ZVMCHJDNWWNYQK-LBTMZUADSA-N |
Chemical Property Profile of 1,N(6)-Propanodeoxyadenosine
Property Insights of 1,N(6)-Propanodeoxyadenosine
The XLogP value of -1.5 indicates that 1,N(6)-Propanodeoxyadenosine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,N(6)-Propanodeoxyadenosine. Following Lipinski's Rule of Five, 1,N(6)-Propanodeoxyadenosine 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
What is the CAS number of 1,N(6)-Propanodeoxyadenosine?
The CAS number of 1,N(6)-Propanodeoxyadenosine is 132461-42-8.
What is the molecular formula of 1,N(6)-Propanodeoxyadenosine?
The molecular formula of 1,N(6)-Propanodeoxyadenosine is C13H17N5O4.
What is the molecular weight of 1,N(6)-Propanodeoxyadenosine?
The molecular weight of 1,N(6)-Propanodeoxyadenosine is 307.12805 g/mol.
Where can I buy 1,N(6)-Propanodeoxyadenosine?
You can request a quote for 1,N(6)-Propanodeoxyadenosine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,N(6)-Propanodeoxyadenosine?
Yes, CoreyChem provides custom synthesis services for 1,N(6)-Propanodeoxyadenosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.