地茂散
TL;DR: 地茂散 (CAS 2675-77-6) is a chemical compound with molecular formula C8H8Cl2O2 and molecular weight 205.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
地茂散
1,4-dichloro-2,5-dimethoxybenzene
Also Known As: CHLORONEB, Demosan, 1,4-Dichloro-2,5-dimethoxybenzene, Terraneb, Demasan
| Molecular Formula | C8H8Cl2O2 |
|---|---|
| Molecular Weight | 205.99 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 205.99013 |
| Heavy Atoms | 12 |
| Complexity | 127.0 |
| Melting Point | 271 to 135.0 °C |
| Boiling Point | 267.8 °C at 760 mmHg |
| Density | 1.66 |
| Solubility | less than 0.1 mg/mL at 73 °F (NTP, 1992) |
| Flash Point | 161.1 °C |
| Vapor Pressure | 0.003 mmHg at 25.0 °C ; 7 mmHg at 140.0 °C |
Chemical Identifiers
| CAS Number | 2675-77-6 |
|---|---|
| SMILES | COC1=CC(=C(C=C1Cl)OC)Cl |
| InChIKey | PFIADAMVCJPXSF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
地茂散 (CAS 2675-77-6), with molecular formula C8H8Cl2O2 and molecular weight 205.99 g/mol. IUPAC: 1,4-dichloro-2,5-dimethoxybenzene.
Chemical Property Profile of 地茂散
Property Insights of 地茂散
The XLogP value of 3.1 indicates that 地茂散 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, 地茂散 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 地茂散 has 0 hydrogen bond donor(s) and 2 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 地茂散?
The CAS number of 地茂散 is 2675-77-6.
What is the molecular formula of 地茂散?
The molecular formula of 地茂散 is C8H8Cl2O2.
What is the molecular weight of 地茂散?
The molecular weight of 地茂散 is 205.99 g/mol.
Where can I buy 地茂散?
You can request a quote for 地茂散 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 地茂散?
Yes, KEHONG BIO provides custom synthesis services for 地茂散 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.