2-Chloro-2'-deoxy-3,7-dideazaadenosine
TL;DR: 2-Chloro-2'-deoxy-3,7-dideazaadenosine (CAS 114915-05-8) is a chemical compound with molecular formula C12H14ClN3O3 and molecular weight 283.07236 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R,3S,5S)-5-(4-amino-6-chloropyrrolo[3,2-c]pyridin-1-yl)-2-(hydroxymethyl)oxolan-3-ol
Also Known As: 2-Cddda, 2-Chloro-2'-deoxy-3,7-dideazaadenosine, 2-Chloro-2/'-deoxy-3,7-dideazaadenosine, (2R,3S,5S)-5-(4-amino-6-chloropyrrolo[3,2-c]pyridin-1-yl)-2-(hydroxymethyl)oxolan-3-ol, 1H-Pyrrolo(3,2-c)pyridin-4-amine, 6-chloro-1-(2-deoxy-beta-D-erythro-pentofuramosyl)-
Technical Specifications
| Molecular Formula | C12H14ClN3O3 |
| Molecular Weight | 283.07236 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 93.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 283.07236 Da |
| Heavy Atoms | 19 |
| Complexity | 335.0 |
| SMILES | C1[C@@H]([C@H](O[C@@H]1N2C=CC3=C(N=C(C=C32)Cl)N)CO)O |
| InChIKey | VGSYBVJUWVMTES-NGZCFLSTSA-N |
Chemical Property Profile of 2-Chloro-2'-deoxy-3,7-dideazaadenosine
Property Insights of 2-Chloro-2'-deoxy-3,7-dideazaadenosine
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-2'-deoxy-3,7-dideazaadenosine. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-2'-deoxy-3,7-dideazaadenosine. Following Lipinski's Rule of Five, 2-Chloro-2'-deoxy-3,7-dideazaadenosine has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Chloro-2'-deoxy-3,7-dideazaadenosine?
The CAS number of 2-Chloro-2'-deoxy-3,7-dideazaadenosine is 114915-05-8.
What is the molecular formula of 2-Chloro-2'-deoxy-3,7-dideazaadenosine?
The molecular formula of 2-Chloro-2'-deoxy-3,7-dideazaadenosine is C12H14ClN3O3.
What is the molecular weight of 2-Chloro-2'-deoxy-3,7-dideazaadenosine?
The molecular weight of 2-Chloro-2'-deoxy-3,7-dideazaadenosine is 283.07236 g/mol.
Where can I buy 2-Chloro-2'-deoxy-3,7-dideazaadenosine?
You can request a quote for 2-Chloro-2'-deoxy-3,7-dideazaadenosine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Chloro-2'-deoxy-3,7-dideazaadenosine?
Yes, CoreyChem provides custom synthesis services for 2-Chloro-2'-deoxy-3,7-dideazaadenosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.