N-(5-溴-3-金刚烷乙酰基)邻氨基苯甲酸
TL;DR: N-(5-溴-3-金刚烷乙酰基)邻氨基苯甲酸 (CAS 50741-85-0) is a chemical compound with molecular formula C19H22BrNO3 and molecular weight 391.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-溴-3-金刚烷乙酰基)邻氨基苯甲酸
2-[[2-(3-bromo-1-adamantyl)acetyl]amino]benzoic acid
Also Known As: N-(5-Bromo-3-adamantylmethylcarbonyl)anthranilic acid, ANTHRANILIC ACID, N-(5-BROMO-3-ADAMANTYLACETYL)-, 2-[[2-(3-bromo-1-adamantyl)acetyl]amino]benzoic acid, 2-(((3-Bromotricyclo(3.3.1.1(sup 3,7))dec-1-yl)acetyl)amino)benzoic acid, Benzoic acid, 2-(((3-bromotricyclo(3.3.1.1(sup 3,7))dec-1-yl)acetyl)amino)-
| Molecular Formula | C19H22BrNO3 |
|---|---|
| Molecular Weight | 391.08 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 391.0783 |
| Heavy Atoms | 24 |
| Complexity | 535.0 |
Chemical Identifiers
| CAS Number | 50741-85-0 |
|---|---|
| SMILES | C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)NC4=CC=CC=C4C(=O)O |
| InChIKey | MASSBWMZDORVSO-UHFFFAOYSA-N |
Product Overview
N-(5-溴-3-金刚烷乙酰基)邻氨基苯甲酸 (CAS 50741-85-0), with molecular formula C19H22BrNO3 and molecular weight 391.08 g/mol. IUPAC: 2-[[2-(3-bromo-1-adamantyl)acetyl]amino]benzoic acid.
Chemical Property Profile of N-(5-溴-3-金刚烷乙酰基)邻氨基苯甲酸
Property Insights of N-(5-溴-3-金刚烷乙酰基)邻氨基苯甲酸
The XLogP value of 4.4 indicates that N-(5-溴-3-金刚烷乙酰基)邻氨基苯甲酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-溴-3-金刚烷乙酰基)邻氨基苯甲酸. Following Lipinski's Rule of Five, N-(5-溴-3-金刚烷乙酰基)邻氨基苯甲酸 has 2 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 N-(5-溴-3-金刚烷乙酰基)邻氨基苯甲酸?
The CAS number of N-(5-溴-3-金刚烷乙酰基)邻氨基苯甲酸 is 50741-85-0.
What is the molecular formula of N-(5-溴-3-金刚烷乙酰基)邻氨基苯甲酸?
The molecular formula of N-(5-溴-3-金刚烷乙酰基)邻氨基苯甲酸 is C19H22BrNO3.
What is the molecular weight of N-(5-溴-3-金刚烷乙酰基)邻氨基苯甲酸?
The molecular weight of N-(5-溴-3-金刚烷乙酰基)邻氨基苯甲酸 is 391.08 g/mol.
Where can I buy N-(5-溴-3-金刚烷乙酰基)邻氨基苯甲酸?
You can request a quote for N-(5-溴-3-金刚烷乙酰基)邻氨基苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-溴-3-金刚烷乙酰基)邻氨基苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for N-(5-溴-3-金刚烷乙酰基)邻氨基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.