4-甲氧基间苯二甲酰氯
TL;DR: 4-甲氧基间苯二甲酰氯 (CAS 13235-60-4) is a chemical compound with molecular formula C9H6Cl2O3 and molecular weight 231.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-甲氧基间苯二甲酰氯
4-methoxybenzene-1,3-dicarbonyl chloride
Also Known As: 4-Methoxyisophthaloyl dichloride, 4-methoxybenzene-1,3-dicarbonyl chloride, 4-Methoxyisophthaloyldichlorid, 4-Methoxy Isophthaloyl Dichloride, 4-methoxyl-isophthaloyl dichloride
| Molecular Formula | C9H6Cl2O3 |
|---|---|
| Molecular Weight | 231.97 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.9694 |
| Heavy Atoms | 14 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 13235-60-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)Cl)C(=O)Cl |
| InChIKey | FKPCRVTXBLUQBV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-甲氧基间苯二甲酰氯 (CAS 13235-60-4), with molecular formula C9H6Cl2O3 and molecular weight 231.97 g/mol. IUPAC: 4-methoxybenzene-1,3-dicarbonyl chloride.
Chemical Property Profile of 4-甲氧基间苯二甲酰氯
Property Insights of 4-甲氧基间苯二甲酰氯
The XLogP value of 3.1 indicates that 4-甲氧基间苯二甲酰氯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 4-甲氧基间苯二甲酰氯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-甲氧基间苯二甲酰氯 has 0 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 4-甲氧基间苯二甲酰氯?
The CAS number of 4-甲氧基间苯二甲酰氯 is 13235-60-4.
What is the molecular formula of 4-甲氧基间苯二甲酰氯?
The molecular formula of 4-甲氧基间苯二甲酰氯 is C9H6Cl2O3.
What is the molecular weight of 4-甲氧基间苯二甲酰氯?
The molecular weight of 4-甲氧基间苯二甲酰氯 is 231.97 g/mol.
Where can I buy 4-甲氧基间苯二甲酰氯?
You can request a quote for 4-甲氧基间苯二甲酰氯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-甲氧基间苯二甲酰氯?
Yes, KEHONG BIO provides custom synthesis services for 4-甲氧基间苯二甲酰氯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.