Pinadoline
TL;DR: Pinadoline (CAS 38955-22-5) is a chemical compound with molecular formula C19H19Cl2N3O3 and molecular weight 407.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N'-(5-chloropentanoyl)-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide
Also Known As: Pinadolina, Pinadolinum, Pinadolinum [Latin], Pinadolina [Spanish], Pinadoline (USAN)
| Molecular Formula | C19H19Cl2N3O3 |
|---|---|
| Molecular Weight | 407.08 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 70.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 407.08035 |
| Heavy Atoms | 27 |
| Complexity | 522.0 |
Chemical Identifiers
| CAS Number | 38955-22-5 |
|---|---|
| SMILES | C1C2=CC=CC=C2OC3=C(N1C(=O)NNC(=O)CCCCCl)C=C(C=C3)Cl |
| InChIKey | OUNSOXPSCMCFHX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pinadoline (CAS 38955-22-5), with molecular formula C19H19Cl2N3O3 and molecular weight 407.08 g/mol. IUPAC: 3-chloro-N'-(5-chloropentanoyl)-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide.
Chemical Property Profile of Pinadoline
Property Insights of Pinadoline
The XLogP value of 3.6 indicates that Pinadoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Pinadoline. Following Lipinski's Rule of Five, Pinadoline 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 Pinadoline?
The CAS number of Pinadoline is 38955-22-5.
What is the molecular formula of Pinadoline?
The molecular formula of Pinadoline is C19H19Cl2N3O3.
What is the molecular weight of Pinadoline?
The molecular weight of Pinadoline is 407.08 g/mol.
Where can I buy Pinadoline?
You can request a quote for Pinadoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pinadoline?
Yes, KEHONG BIO provides custom synthesis services for Pinadoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.