nafagrel hydrochloride
TL;DR: nafagrel hydrochloride (CAS 97901-22-9) is a chemical compound with molecular formula C15H17ClN2O2 and molecular weight 292.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(imidazol-1-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;hydrochloride
Also Known As: nafagrel hydrochloride, Nafagrel, DP-1904 hydrochloride, (A+-)-DP-1904 hydrochloride, (+/-)-DP-1904 hydrochloride
| Molecular Formula | C15H17ClN2O2 |
|---|---|
| Molecular Weight | 292.10 g/mol |
| LogP | 2.8082 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 292.09787 |
| Heavy Atoms | 20 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 97901-22-9 |
|---|---|
| SMILES | C1CC2=C(CC1CN3C=CN=C3)C=CC(=C2)C(=O)O.Cl |
| InChIKey | DRWRJLPMUWWEHY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
nafagrel hydrochloride (CAS 97901-22-9), with molecular formula C15H17ClN2O2 and molecular weight 292.10 g/mol. IUPAC: 6-(imidazol-1-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;hydrochloride.
Chemical Property Profile of nafagrel hydrochloride
Property Insights of nafagrel hydrochloride
The XLogP value of 2.8082 suggests moderate lipophilicity, balancing water solubility and membrane permeability for nafagrel hydrochloride. With a topological polar surface area (TPSA) of 55.1 Ų, nafagrel hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, nafagrel hydrochloride has 2 hydrogen bond donor(s) and 3 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 nafagrel hydrochloride?
The CAS number of nafagrel hydrochloride is 97901-22-9.
What is the molecular formula of nafagrel hydrochloride?
The molecular formula of nafagrel hydrochloride is C15H17ClN2O2.
What is the molecular weight of nafagrel hydrochloride?
The molecular weight of nafagrel hydrochloride is 292.10 g/mol.
Where can I buy nafagrel hydrochloride?
You can request a quote for nafagrel hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for nafagrel hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for nafagrel hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.