5-羟基-1,3-苯二碳酰二氯
TL;DR: 5-羟基-1,3-苯二碳酰二氯 (CAS 61842-44-2) is a chemical compound with molecular formula C8H4Cl2O3 and molecular weight 217.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-羟基-1,3-苯二碳酰二氯
5-hydroxybenzene-1,3-dicarbonyl chloride
Also Known As: 5-Hydroxyisophthaloyl dichloride, 1,3-Benzenedicarbonyl dichloride, 5-hydroxy-, 5-hydroxy-1,3-Benzenedicarbonyl dichloride, 5-Hydroxyisophthalic acid dichloride, 5-hydroxybenzene-1,3-dicarbonyl chloride
| Molecular Formula | C8H4Cl2O3 |
|---|---|
| Molecular Weight | 217.95 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.95375 |
| Heavy Atoms | 13 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 61842-44-2 |
|---|---|
| SMILES | C1=C(C=C(C=C1C(=O)Cl)O)C(=O)Cl |
| InChIKey | PVOFLWDXEXGWNT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-羟基-1,3-苯二碳酰二氯 (CAS 61842-44-2), with molecular formula C8H4Cl2O3 and molecular weight 217.95 g/mol. IUPAC: 5-hydroxybenzene-1,3-dicarbonyl chloride.
Chemical Property Profile of 5-羟基-1,3-苯二碳酰二氯
Property Insights of 5-羟基-1,3-苯二碳酰二氯
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-羟基-1,3-苯二碳酰二氯. With a topological polar surface area (TPSA) of 54.4 Ų, 5-羟基-1,3-苯二碳酰二氯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-羟基-1,3-苯二碳酰二氯 has 1 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 5-羟基-1,3-苯二碳酰二氯?
The CAS number of 5-羟基-1,3-苯二碳酰二氯 is 61842-44-2.
What is the molecular formula of 5-羟基-1,3-苯二碳酰二氯?
The molecular formula of 5-羟基-1,3-苯二碳酰二氯 is C8H4Cl2O3.
What is the molecular weight of 5-羟基-1,3-苯二碳酰二氯?
The molecular weight of 5-羟基-1,3-苯二碳酰二氯 is 217.95 g/mol.
Where can I buy 5-羟基-1,3-苯二碳酰二氯?
You can request a quote for 5-羟基-1,3-苯二碳酰二氯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-羟基-1,3-苯二碳酰二氯?
Yes, KEHONG BIO provides custom synthesis services for 5-羟基-1,3-苯二碳酰二氯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.