Adechlorin
TL;DR: Adechlorin (CAS 2224-10-4) is a chemical compound with molecular formula C11H15ClN4O4 and molecular weight 302.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R)-3-[(2R,3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol
Also Known As: Adechlorin, 2'-Chloropentostatin, 2'-Cldcf, 2'-Chloro-2'-deoxycoformycin, Azo(4,5d)(1,3)-diazepin-8-ol
| Molecular Formula | C11H15ClN4O4 |
|---|---|
| Molecular Weight | 302.08 g/mol |
| LogP | -1.8 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 302.0782 |
| Heavy Atoms | 20 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 2224-10-4 |
|---|---|
| SMILES | C1[C@H](C2=C(NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)Cl)O |
| InChIKey | JYWSHPMZFVPRRF-AMFMTJJISA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Adechlorin (CAS 2224-10-4), with molecular formula C11H15ClN4O4 and molecular weight 302.08 g/mol. IUPAC: (8R)-3-[(2R,3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol.
Chemical Property Profile of Adechlorin
Property Insights of Adechlorin
The XLogP value of -1.8 indicates that Adechlorin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Adechlorin. Following Lipinski's Rule of Five, Adechlorin has 4 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 Adechlorin?
The CAS number of Adechlorin is 2224-10-4.
What is the molecular formula of Adechlorin?
The molecular formula of Adechlorin is C11H15ClN4O4.
What is the molecular weight of Adechlorin?
The molecular weight of Adechlorin is 302.08 g/mol.
Where can I buy Adechlorin?
You can request a quote for Adechlorin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Adechlorin?
Yes, KEHONG BIO provides custom synthesis services for Adechlorin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.