1-Deaza-2-chloro-N(6)-cyclopentyladenosine
TL;DR: 1-Deaza-2-chloro-N(6)-cyclopentyladenosine (CAS 113646-62-1) is a chemical compound with molecular formula C16H21ClN4O4 and molecular weight 368.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4S,5R)-2-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Also Known As: 1-Dcca, 1-Deaza-2-chloro-N(6)-cyclopentyladenosine, BIDD:GT0283, 2Cl-N(6)-cPen-1-deaza-A, 1-Deaza-2-chlorocyclopentyladenosine
| Molecular Formula | C16H21ClN4O4 |
|---|---|
| Molecular Weight | 368.13 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 368.12512 |
| Heavy Atoms | 25 |
| Complexity | 469.0 |
Chemical Identifiers
| CAS Number | 113646-62-1 |
|---|---|
| SMILES | C1CCC(C1)NC2=CC(=NC3=C2N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)Cl |
| InChIKey | ZQSTWOIIMKNFPE-DSPGLSBSSA-N |
Product Overview
1-Deaza-2-chloro-N(6)-cyclopentyladenosine (CAS 113646-62-1), with molecular formula C16H21ClN4O4 and molecular weight 368.13 g/mol. IUPAC: (2R,3R,4S,5R)-2-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol.
Chemical Property Profile of 1-Deaza-2-chloro-N(6)-cyclopentyladenosine
Property Insights of 1-Deaza-2-chloro-N(6)-cyclopentyladenosine
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Deaza-2-chloro-N(6)-cyclopentyladenosine. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Deaza-2-chloro-N(6)-cyclopentyladenosine. Following Lipinski's Rule of Five, 1-Deaza-2-chloro-N(6)-cyclopentyladenosine has 4 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 1-Deaza-2-chloro-N(6)-cyclopentyladenosine?
The CAS number of 1-Deaza-2-chloro-N(6)-cyclopentyladenosine is 113646-62-1.
What is the molecular formula of 1-Deaza-2-chloro-N(6)-cyclopentyladenosine?
The molecular formula of 1-Deaza-2-chloro-N(6)-cyclopentyladenosine is C16H21ClN4O4.
What is the molecular weight of 1-Deaza-2-chloro-N(6)-cyclopentyladenosine?
The molecular weight of 1-Deaza-2-chloro-N(6)-cyclopentyladenosine is 368.13 g/mol.
Where can I buy 1-Deaza-2-chloro-N(6)-cyclopentyladenosine?
You can request a quote for 1-Deaza-2-chloro-N(6)-cyclopentyladenosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Deaza-2-chloro-N(6)-cyclopentyladenosine?
Yes, KEHONG BIO provides custom synthesis services for 1-Deaza-2-chloro-N(6)-cyclopentyladenosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.