CBiol_001890
TL;DR: CBiol_001890 (CAS 97217-83-9) is a chemical compound with molecular formula C17H18N4O5 and molecular weight 358.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
CBiol_001890
propan-2-yl 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate
Also Known As: Sandoz-202-791, (R)-Sandoz 202-791, (S)-Sandoz 202-791, (+)-Sandoz 202-791, (-)-Sandoz 202-791
| Molecular Formula | C17H18N4O5 |
|---|---|
| Molecular Weight | 358.13 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.12772 |
| Heavy Atoms | 26 |
| Complexity | 667.0 |
Chemical Identifiers
| CAS Number | 97217-83-9 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CC3=NON=C32)C(=O)OC(C)C |
| InChIKey | LYFZEFDZKPJBJK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
CBiol_001890 (CAS 97217-83-9), with molecular formula C17H18N4O5 and molecular weight 358.13 g/mol. IUPAC: propan-2-yl 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of CBiol_001890
Property Insights of CBiol_001890
The XLogP value of 4.3 indicates that Chemical Compound (C17H18N4O5) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CBiol_001890. Following Lipinski's Rule of Five, Chemical Compound (C17H18N4O5) has 1 hydrogen bond donor(s) and 8 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 Chemical Compound (C17H18N4O5)?
The CAS number of Chemical Compound (C17H18N4O5) is 97217-83-9.
What is the molecular formula of Chemical Compound (C17H18N4O5)?
The molecular formula of Chemical Compound (C17H18N4O5) is C17H18N4O5.
What is the molecular weight of Chemical Compound (C17H18N4O5)?
The molecular weight of Chemical Compound (C17H18N4O5) is 358.13 g/mol.
Where can I buy Chemical Compound (C17H18N4O5)?
You can request a quote for Chemical Compound (C17H18N4O5) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chemical Compound (C17H18N4O5)?
Yes, KEHONG BIO provides custom synthesis services for Chemical Compound (C17H18N4O5) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.