Spinacine hydrochloride
TL;DR: Spinacine hydrochloride (CAS 88980-06-7) is a chemical compound with molecular formula C7H10ClN3O2 and molecular weight 203.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6S)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid;hydrochloride
Also Known As: Spinacine hydrochloride, Spinacine monohydrochloride, Spinacine (hydrochloride), (S)-4,5,6,7-Tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid hydrochloride, 2(s)-carboxypiperidine[d]imidazolehcl
| Molecular Formula | C7H10ClN3O2 |
|---|---|
| Molecular Weight | 203.05 g/mol |
| LogP | -0.0696 |
| Topological Polar Surface Area | 78.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 203.04616 |
| Heavy Atoms | 13 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 88980-06-7 |
|---|---|
| SMILES | C1[C@H](NCC2=C1N=CN2)C(=O)O.Cl |
| InChIKey | IJWPDVGZOCCGRA-JEDNCBNOSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Spinacine hydrochloride (CAS 88980-06-7), with molecular formula C7H10ClN3O2 and molecular weight 203.05 g/mol. IUPAC: (6S)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid;hydrochloride.
Chemical Property Profile of Spinacine hydrochloride
Property Insights of Spinacine hydrochloride
The XLogP value of -0.0696 indicates that Spinacine hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Spinacine hydrochloride. Following Lipinski's Rule of Five, Spinacine hydrochloride has 4 hydrogen bond donor(s) and 4 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 Spinacine hydrochloride?
The CAS number of Spinacine hydrochloride is 88980-06-7.
What is the molecular formula of Spinacine hydrochloride?
The molecular formula of Spinacine hydrochloride is C7H10ClN3O2.
What is the molecular weight of Spinacine hydrochloride?
The molecular weight of Spinacine hydrochloride is 203.05 g/mol.
Where can I buy Spinacine hydrochloride?
You can request a quote for Spinacine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spinacine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Spinacine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.