3-氯邻苯二甲酸
TL;DR: 3-氯邻苯二甲酸 (CAS 27563-65-1) is a chemical compound with molecular formula C8H5ClO4 and molecular weight 199.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-氯邻苯二甲酸
3-chlorophthalic acid
Also Known As: 3-Chlorophthalic acid, 3-chlorophthalicacid, 3-Chloro-phthalic acid, Chlorophthalic acid, 3-Chlor-phthalsaure
| Molecular Formula | C8H5ClO4 |
|---|---|
| Molecular Weight | 199.99 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.98764 |
| Heavy Atoms | 13 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 27563-65-1 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)C(=O)O)C(=O)O |
| InChIKey | BKFXSOCDAQACQM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-氯邻苯二甲酸 (CAS 27563-65-1), with molecular formula C8H5ClO4 and molecular weight 199.99 g/mol. IUPAC: 3-chlorophthalic acid.
Chemical Property Profile of 3-氯邻苯二甲酸
Property Insights of 3-氯邻苯二甲酸
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-氯邻苯二甲酸. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-氯邻苯二甲酸. Following Lipinski's Rule of Five, 3-氯邻苯二甲酸 has 2 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 3-氯邻苯二甲酸?
The CAS number of 3-氯邻苯二甲酸 is 27563-65-1.
What is the molecular formula of 3-氯邻苯二甲酸?
The molecular formula of 3-氯邻苯二甲酸 is C8H5ClO4.
What is the molecular weight of 3-氯邻苯二甲酸?
The molecular weight of 3-氯邻苯二甲酸 is 199.99 g/mol.
Where can I buy 3-氯邻苯二甲酸?
You can request a quote for 3-氯邻苯二甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-氯邻苯二甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3-氯邻苯二甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.