Benzoic acid, 4-(5,6-dichloro-1,3,2-benzodioxaborol-2-yl)-
TL;DR: Benzoic acid, 4-(5,6-dichloro-1,3,2-benzodioxaborol-2-yl)- (CAS 73688-86-5) is a chemical compound with molecular formula C13H7BCl2O4 and molecular weight 307.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5,6-dichloro-1,3,2-benzodioxaborol-2-yl)benzoic acid
Also Known As: 4- BENZOICACID, 4-(5,6-dichloro-1,3,2-benzodioxaborol-2-yl)benzoic acid, Benzeneboronic acid, p-carboxy-, cyclic 4,5-dichloro-o-phenylene ester, p-Carboxybenzeneboronic acid cyclic 4,5-dichloro-o-phenylene ester, 1,2-(4,5-Dichlorophenylene) p-carboxybenzeneboronate (cyclic ester)
| Molecular Formula | C13H7BCl2O4 |
|---|---|
| Molecular Weight | 307.98 g/mol |
| LogP | 2.8582 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 307.98145 |
| Heavy Atoms | 20 |
| Complexity | 656.5157 |
Chemical Identifiers
| CAS Number | 73688-86-5 |
|---|---|
| SMILES | B1(OC2=CC(=C(C=C2O1)Cl)Cl)C3=CC=C(C=C3)C(=O)O |
Product Overview
Benzoic acid, 4-(5,6-dichloro-1,3,2-benzodioxaborol-2-yl)- (CAS 73688-86-5), with molecular formula C13H7BCl2O4 and molecular weight 307.98 g/mol. IUPAC: 4-(5,6-dichloro-1,3,2-benzodioxaborol-2-yl)benzoic acid.
Chemical Property Profile of Benzoic acid, 4-(5,6-dichloro-1,3,2-benzodioxaborol-2-yl)-
Property Insights of Benzoic acid, 4-(5,6-dichloro-1,3,2-benzodioxaborol-2-yl)-
The XLogP value of 2.8582 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-(5,6-dichloro-1,3,2-benzodioxaborol-2-yl)-. With a topological polar surface area (TPSA) of 55.76 Ų, Benzoic acid, 4-(5,6-dichloro-1,3,2-benzodioxaborol-2-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-(5,6-dichloro-1,3,2-benzodioxaborol-2-yl)- 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 Benzoic acid, 4-(5,6-dichloro-1,3,2-benzodioxaborol-2-yl)-?
The CAS number of Benzoic acid, 4-(5,6-dichloro-1,3,2-benzodioxaborol-2-yl)- is 73688-86-5.
What is the molecular formula of Benzoic acid, 4-(5,6-dichloro-1,3,2-benzodioxaborol-2-yl)-?
The molecular formula of Benzoic acid, 4-(5,6-dichloro-1,3,2-benzodioxaborol-2-yl)- is C13H7BCl2O4.
What is the molecular weight of Benzoic acid, 4-(5,6-dichloro-1,3,2-benzodioxaborol-2-yl)-?
The molecular weight of Benzoic acid, 4-(5,6-dichloro-1,3,2-benzodioxaborol-2-yl)- is 307.98 g/mol.
Where can I buy Benzoic acid, 4-(5,6-dichloro-1,3,2-benzodioxaborol-2-yl)-?
You can request a quote for Benzoic acid, 4-(5,6-dichloro-1,3,2-benzodioxaborol-2-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-(5,6-dichloro-1,3,2-benzodioxaborol-2-yl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-(5,6-dichloro-1,3,2-benzodioxaborol-2-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.