3-硼基苯甲酸
TL;DR: 3-硼基苯甲酸 (CAS 32915-77-8) is a chemical compound with molecular formula C16H24Cl3N3O and molecular weight 379.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-硼基苯甲酸
4-[2-(6-chloro-3-ethyl-2-methylbenzimidazol-3-ium-1-yl)ethyl]morpholine;chloride;hydrochloride
Also Known As: Benzoic acid,3-borono, (3-formyloxyphenyl)boronic acid, 5-Chloro-1-ethyl-2-methyl-3-(2-morpholinoethyl)benzimidazolium chloride monohydrochloride, Benzimidazolium, 5-chloro-1-ethyl-2-methyl-3-(2-morpholinoethyl)-, chloride, monohydrochloride, 1H-Benzimidazolium, 5-chloro-1-ethyl-2-methyl-3-(2-(4-morpholinyl)ethyl)-, chloride, hydrochloride (1:1:1)
| Molecular Formula | C16H24Cl3N3O |
|---|---|
| Molecular Weight | 379.10 g/mol |
| LogP | -0.33 |
| Topological Polar Surface Area | 21.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 379.09848 |
| Heavy Atoms | 23 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 32915-77-8 |
|---|---|
| SMILES | CC[N+]1=C(N(C2=C1C=CC(=C2)Cl)CCN3CCOCC3)C.Cl.[Cl-] |
| InChIKey | JUEFYBNIGJLDAX-UHFFFAOYSA-M |
Product Overview
3-硼基苯甲酸 (CAS 32915-77-8), with molecular formula C16H24Cl3N3O and molecular weight 379.10 g/mol. IUPAC: 4-[2-(6-chloro-3-ethyl-2-methylbenzimidazol-3-ium-1-yl)ethyl]morpholine;chloride;hydrochloride.
Chemical Property Profile of 3-硼基苯甲酸
Property Insights of 3-硼基苯甲酸
The XLogP value of -0.33 indicates that 3-硼基苯甲酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 21.3 Ų, 3-硼基苯甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-硼基苯甲酸 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 3-硼基苯甲酸?
The CAS number of 3-硼基苯甲酸 is 32915-77-8.
What is the molecular formula of 3-硼基苯甲酸?
The molecular formula of 3-硼基苯甲酸 is C16H24Cl3N3O.
What is the molecular weight of 3-硼基苯甲酸?
The molecular weight of 3-硼基苯甲酸 is 379.10 g/mol.
Where can I buy 3-硼基苯甲酸?
You can request a quote for 3-硼基苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-硼基苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3-硼基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.