Methyl 5-bromo-2-((phenylcyclopentyl)carbonylamino)benzoate
TL;DR: Methyl 5-bromo-2-((phenylcyclopentyl)carbonylamino)benzoate (CAS 1024392-28-6) is a chemical compound with molecular formula C20H20BrNO3 and molecular weight 401.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-bromo-2-[(1-phenylcyclopentanecarbonyl)amino]benzoate
Also Known As: Methyl 5-bromo-2-[(1-phenylcyclopentanecarbonyl)amino]benzoate, METHYL 5-BROMO-2-((PHENYLCYCLOPENTYL)CARBONYLAMINO)BENZOATE, methyl 5-bromo-2-(1-phenylcyclopentaneamido)benzoate
| Molecular Formula | C20H20BrNO3 |
|---|---|
| Molecular Weight | 401.06 g/mol |
| LogP | 4.6862 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.06265 |
| Heavy Atoms | 25 |
| Complexity | 782.7832 |
Chemical Identifiers
| CAS Number | 1024392-28-6 |
|---|---|
| SMILES | COC(=O)C1=C(C=CC(=C1)Br)NC(=O)C2(CCCC2)C3=CC=CC=C3 |
Product Overview
Methyl 5-bromo-2-((phenylcyclopentyl)carbonylamino)benzoate (CAS 1024392-28-6), with molecular formula C20H20BrNO3 and molecular weight 401.06 g/mol. IUPAC: methyl 5-bromo-2-[(1-phenylcyclopentanecarbonyl)amino]benzoate.
Chemical Property Profile of Methyl 5-bromo-2-((phenylcyclopentyl)carbonylamino)benzoate
Property Insights of Methyl 5-bromo-2-((phenylcyclopentyl)carbonylamino)benzoate
The XLogP value of 4.6862 indicates that Methyl 5-bromo-2-((phenylcyclopentyl)carbonylamino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 5-bromo-2-((phenylcyclopentyl)carbonylamino)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 5-bromo-2-((phenylcyclopentyl)carbonylamino)benzoate 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 Methyl 5-bromo-2-((phenylcyclopentyl)carbonylamino)benzoate?
The CAS number of Methyl 5-bromo-2-((phenylcyclopentyl)carbonylamino)benzoate is 1024392-28-6.
What is the molecular formula of Methyl 5-bromo-2-((phenylcyclopentyl)carbonylamino)benzoate?
The molecular formula of Methyl 5-bromo-2-((phenylcyclopentyl)carbonylamino)benzoate is C20H20BrNO3.
What is the molecular weight of Methyl 5-bromo-2-((phenylcyclopentyl)carbonylamino)benzoate?
The molecular weight of Methyl 5-bromo-2-((phenylcyclopentyl)carbonylamino)benzoate is 401.06 g/mol.
Where can I buy Methyl 5-bromo-2-((phenylcyclopentyl)carbonylamino)benzoate?
You can request a quote for Methyl 5-bromo-2-((phenylcyclopentyl)carbonylamino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-bromo-2-((phenylcyclopentyl)carbonylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-bromo-2-((phenylcyclopentyl)carbonylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.