3-Deazaneplanocin hydrochloride
TL;DR: 3-Deazaneplanocin hydrochloride (CAS 120964-45-6) is a chemical compound with molecular formula C12H15ClN4O3 and molecular weight 298.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-aminoimidazo[4,5-c]pyridin-1-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol;hydrochloride
Also Known As: 3-Deazaneplanocin hydrochloride, 3-Deazaneplanocin A hydrochloride, 3-Deazaneplanocin, hydrochloride, 3-Deazaneplanocin A (hydrochloride), (-)-1-[(1R,4R,5S)-3-(Hydroxymethyl)-4,5-dihydroxy-2-cyclopenten-1-yl]4-aminoimidazo[4,5-c]pyridine hydrochloride, DZNep hydrochloride
| Molecular Formula | C12H15ClN4O3 |
|---|---|
| Molecular Weight | 298.08 g/mol |
| LogP | -0.3695 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 298.08328 |
| Heavy Atoms | 20 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 120964-45-6 |
|---|---|
| SMILES | C1=CN=C(C2=C1N(C=N2)C3C=C(C(C3O)O)CO)N.Cl |
| InChIKey | UNSKMHKAFPRFTI-UHFFFAOYSA-N |
Product Overview
3-Deazaneplanocin hydrochloride (CAS 120964-45-6), with molecular formula C12H15ClN4O3 and molecular weight 298.08 g/mol. IUPAC: 5-(4-aminoimidazo[4,5-c]pyridin-1-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol;hydrochloride.
Chemical Property Profile of 3-Deazaneplanocin hydrochloride
Property Insights of 3-Deazaneplanocin hydrochloride
The XLogP value of -0.3695 indicates that 3-Deazaneplanocin hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Deazaneplanocin hydrochloride. Following Lipinski's Rule of Five, 3-Deazaneplanocin hydrochloride has 5 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 3-Deazaneplanocin hydrochloride?
The CAS number of 3-Deazaneplanocin hydrochloride is 120964-45-6.
What is the molecular formula of 3-Deazaneplanocin hydrochloride?
The molecular formula of 3-Deazaneplanocin hydrochloride is C12H15ClN4O3.
What is the molecular weight of 3-Deazaneplanocin hydrochloride?
The molecular weight of 3-Deazaneplanocin hydrochloride is 298.08 g/mol.
Where can I buy 3-Deazaneplanocin hydrochloride?
You can request a quote for 3-Deazaneplanocin hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Deazaneplanocin hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Deazaneplanocin hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.