Heptenophos
TL;DR: Heptenophos (CAS 23560-59-0) is a chemical compound with molecular formula C9H12ClO4P and molecular weight 250.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7-chloro-6-bicyclo[3.2.0]hepta-2,6-dienyl) dimethyl phosphate
Also Known As: HEPTENOPHOS, Hostaquick, Ragadan, Hostavik, Hostavik [Russian]
| Molecular Formula | C9H12ClO4P |
|---|---|
| Molecular Weight | 250.02 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.01617 |
| Heavy Atoms | 15 |
| Complexity | 368.0 |
| Melting Point | < 25 °C |
| Boiling Point | 64 °C/0.075 mm Hg |
| Density | 1.28 (20 °C) |
| Solubility | Readily miscible with most organic solvents, e.g. in acetone, methanol, xylene >1, hexane 0.13 (all in kg/l, 25 °C). |
| Flash Point | 165 °C (Cleveland, open); 152 °C (Pensky-Martens, closed) |
| Vapor Pressure | 0.00075 [mmHg] |
Chemical Identifiers
| CAS Number | 23560-59-0 |
|---|---|
| SMILES | COP(=O)(OC)OC1=C(C2C1CC=C2)Cl |
| InChIKey | GBAWQJNHVWMTLU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Heptenophos (CAS 23560-59-0), with molecular formula C9H12ClO4P and molecular weight 250.02 g/mol. IUPAC: (7-chloro-6-bicyclo[3.2.0]hepta-2,6-dienyl) dimethyl phosphate.
Chemical Property Profile of Heptenophos
Property Insights of Heptenophos
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Heptenophos. With a topological polar surface area (TPSA) of 44.8 Ų, Heptenophos exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptenophos has 0 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 Heptenophos?
The CAS number of Heptenophos is 23560-59-0.
What is the molecular formula of Heptenophos?
The molecular formula of Heptenophos is C9H12ClO4P.
What is the molecular weight of Heptenophos?
The molecular weight of Heptenophos is 250.02 g/mol.
Where can I buy Heptenophos?
You can request a quote for Heptenophos directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptenophos?
Yes, KEHONG BIO provides custom synthesis services for Heptenophos and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.