Dipropyl isocinchomeronate
TL;DR: Dipropyl isocinchomeronate (CAS 136-45-8) is a chemical compound with molecular formula C13H17NO4 and molecular weight 251.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dipropyl pyridine-2,5-dicarboxylate
Also Known As: Dipropyl isocinchomeronate, Dipropyl 2,5-pyridinedicarboxylate, quyingding, DIPROPYL PYRIDINE-2,5-DICARBOXYLATE, MGK 326
| Molecular Formula | C13H17NO4 |
|---|---|
| Molecular Weight | 251.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 65.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 251.11575 |
| Heavy Atoms | 18 |
| Complexity | 280.0 |
| Melting Point | Liquid at room temperature |
| Boiling Point | BP: 150 °C at 1 mm Hg |
| Density | 1.082 at 20 °C (technical product: 1.106-1.13 at 20 °C) |
| Solubility | Practically insoluble in water |
| Flash Point | 93.4 °C (93.4 °C) - closed cup |
| Vapor Pressure | 0.000548 [mmHg] |
Chemical Identifiers
| CAS Number | 136-45-8 |
|---|---|
| SMILES | CCCOC(=O)C1=CN=C(C=C1)C(=O)OCCC |
| InChIKey | IITCWRFYJWUUPC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dipropyl isocinchomeronate (CAS 136-45-8), with molecular formula C13H17NO4 and molecular weight 251.12 g/mol. IUPAC: dipropyl pyridine-2,5-dicarboxylate.
Chemical Property Profile of Dipropyl isocinchomeronate
Property Insights of Dipropyl isocinchomeronate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dipropyl isocinchomeronate. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Dipropyl isocinchomeronate. Following Lipinski's Rule of Five, Dipropyl isocinchomeronate has 0 hydrogen bond donor(s) and 5 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 Dipropyl isocinchomeronate?
The CAS number of Dipropyl isocinchomeronate is 136-45-8.
What is the molecular formula of Dipropyl isocinchomeronate?
The molecular formula of Dipropyl isocinchomeronate is C13H17NO4.
What is the molecular weight of Dipropyl isocinchomeronate?
The molecular weight of Dipropyl isocinchomeronate is 251.12 g/mol.
Where can I buy Dipropyl isocinchomeronate?
You can request a quote for Dipropyl isocinchomeronate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dipropyl isocinchomeronate?
Yes, KEHONG BIO provides custom synthesis services for Dipropyl isocinchomeronate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.