3,4-二氯异香豆素
TL;DR: 3,4-二氯异香豆素 (CAS 51050-59-0) is a chemical compound with molecular formula C9H4Cl2O2 and molecular weight 213.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-二氯异香豆素
3,4-dichloroisochromen-1-one
Also Known As: 3,4-dichloroisocoumarin, 3,4-Dichloro-1H-isochromen-1-one, 3,4 dichloroisocoumarin, Paramylon, 3,4-dichloroisochromen-1-one
| Molecular Formula | C9H4Cl2O2 |
|---|---|
| Molecular Weight | 213.96 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 213.95883 |
| Heavy Atoms | 13 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 51050-59-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(OC2=O)Cl)Cl |
| InChIKey | SUGXUUGGLDCZKB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-二氯异香豆素 (CAS 51050-59-0), with molecular formula C9H4Cl2O2 and molecular weight 213.96 g/mol. IUPAC: 3,4-dichloroisochromen-1-one.
Chemical Property Profile of 3,4-二氯异香豆素
Property Insights of 3,4-二氯异香豆素
The XLogP value of 3.1 indicates that 3,4-二氯异香豆素 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3,4-二氯异香豆素 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-二氯异香豆素 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 3,4-二氯异香豆素?
The CAS number of 3,4-二氯异香豆素 is 51050-59-0.
What is the molecular formula of 3,4-二氯异香豆素?
The molecular formula of 3,4-二氯异香豆素 is C9H4Cl2O2.
What is the molecular weight of 3,4-二氯异香豆素?
The molecular weight of 3,4-二氯异香豆素 is 213.96 g/mol.
Where can I buy 3,4-二氯异香豆素?
You can request a quote for 3,4-二氯异香豆素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-二氯异香豆素?
Yes, KEHONG BIO provides custom synthesis services for 3,4-二氯异香豆素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.