2Cl-1-Deaza-2'-dA
TL;DR: 2Cl-1-Deaza-2'-dA (CAS 149649-00-3) is a chemical compound with molecular formula C11H13ClN4O3 and molecular weight 284.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S,5R)-5-(7-amino-5-chloroimidazo[4,5-b]pyridin-3-yl)-2-(hydroxymethyl)oxolan-3-ol
Also Known As: 2Cl-1-Deaza-2'-dA, 2-Chloro-2'-deoxy-1-deazaadenosine, J1.245.899A, (2R,3S,5R)-5-(7-amino-5-chloroimidazo[4,5-b]pyridin-3-yl)-2-(hydroxymethyl)oxolan-3-ol, 3-(2-Deoxy-beta-D-erythro-pentofuranosyl)-5-chloro-3H-imidazo[4,5-b]pyridine-7-amine
| Molecular Formula | C11H13ClN4O3 |
|---|---|
| Molecular Weight | 284.07 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.06763 |
| Heavy Atoms | 19 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 149649-00-3 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(C=C3N)Cl)CO)O |
| InChIKey | DUCXWDWEQQGOTG-LKEWCRSYSA-N |
Product Overview
2Cl-1-Deaza-2'-dA (CAS 149649-00-3), with molecular formula C11H13ClN4O3 and molecular weight 284.07 g/mol. IUPAC: (2R,3S,5R)-5-(7-amino-5-chloroimidazo[4,5-b]pyridin-3-yl)-2-(hydroxymethyl)oxolan-3-ol.
Chemical Property Profile of 2Cl-1-Deaza-2'-dA
Property Insights of 2Cl-1-Deaza-2'-dA
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2Cl-1-Deaza-2'-dA. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2Cl-1-Deaza-2'-dA. Following Lipinski's Rule of Five, 2Cl-1-Deaza-2'-dA has 3 hydrogen bond donor(s) and 6 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 2Cl-1-Deaza-2'-dA?
The CAS number of 2Cl-1-Deaza-2'-dA is 149649-00-3.
What is the molecular formula of 2Cl-1-Deaza-2'-dA?
The molecular formula of 2Cl-1-Deaza-2'-dA is C11H13ClN4O3.
What is the molecular weight of 2Cl-1-Deaza-2'-dA?
The molecular weight of 2Cl-1-Deaza-2'-dA is 284.07 g/mol.
Where can I buy 2Cl-1-Deaza-2'-dA?
You can request a quote for 2Cl-1-Deaza-2'-dA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2Cl-1-Deaza-2'-dA?
Yes, KEHONG BIO provides custom synthesis services for 2Cl-1-Deaza-2'-dA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.