2-(5-溴萘-1-甲酰基)苯甲酸
TL;DR: 2-(5-溴萘-1-甲酰基)苯甲酸 (CAS 70502-64-6) is a chemical compound with molecular formula C18H11BrO3 and molecular weight 353.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-溴萘-1-甲酰基)苯甲酸
2-(5-bromonaphthalene-1-carbonyl)benzoic acid
Also Known As: 2-(5-bromonaphthalene-1-carbonyl)benzoic acid, 2-[(5-bromonaphthalen-1-yl)carbonyl]benzoic acid, 2-(5-bromo-1-naphthoyl)benzoic acid, 2-(5-bromonaphthalene-1-carbonyl)benzoicacid, 2-(5-bromanylnaphthalen-1-yl)carbonylbenzoic acid
| Molecular Formula | C18H11BrO3 |
|---|---|
| Molecular Weight | 353.99 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 353.98917 |
| Heavy Atoms | 22 |
| Complexity | 436.0 |
Chemical Identifiers
| CAS Number | 70502-64-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)C2=CC=CC3=C2C=CC=C3Br)C(=O)O |
| InChIKey | CLKBMCKEDALDRQ-UHFFFAOYSA-N |
Product Overview
2-(5-溴萘-1-甲酰基)苯甲酸 (CAS 70502-64-6), with molecular formula C18H11BrO3 and molecular weight 353.99 g/mol. IUPAC: 2-(5-bromonaphthalene-1-carbonyl)benzoic acid.
Chemical Property Profile of 2-(5-溴萘-1-甲酰基)苯甲酸
Property Insights of 2-(5-溴萘-1-甲酰基)苯甲酸
The XLogP value of 4.7 indicates that 2-(5-溴萘-1-甲酰基)苯甲酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, 2-(5-溴萘-1-甲酰基)苯甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(5-溴萘-1-甲酰基)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 2-(5-溴萘-1-甲酰基)苯甲酸?
The CAS number of 2-(5-溴萘-1-甲酰基)苯甲酸 is 70502-64-6.
What is the molecular formula of 2-(5-溴萘-1-甲酰基)苯甲酸?
The molecular formula of 2-(5-溴萘-1-甲酰基)苯甲酸 is C18H11BrO3.
What is the molecular weight of 2-(5-溴萘-1-甲酰基)苯甲酸?
The molecular weight of 2-(5-溴萘-1-甲酰基)苯甲酸 is 353.99 g/mol.
Where can I buy 2-(5-溴萘-1-甲酰基)苯甲酸?
You can request a quote for 2-(5-溴萘-1-甲酰基)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 2-(5-溴萘-1-甲酰基)苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-溴萘-1-甲酰基)苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.