Methyl 5-(4-bromoanilino)-5-oxopentanoate
TL;DR: Methyl 5-(4-bromoanilino)-5-oxopentanoate (CAS 313393-58-7) is a chemical compound with molecular formula C12H14BrNO3 and molecular weight 299.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(4-bromoanilino)-5-oxopentanoate
Also Known As: methyl 5-(4-bromoanilino)-5-oxopentanoate, methyl 5-[(4-bromophenyl)amino]-5-oxopentanoate
| Molecular Formula | C12H14BrNO3 |
|---|---|
| Molecular Weight | 299.02 g/mol |
| LogP | 2.7309 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 299.01572 |
| Heavy Atoms | 17 |
| Complexity | 389.24216 |
Chemical Identifiers
| CAS Number | 313393-58-7 |
|---|---|
| SMILES | COC(=O)CCCC(=O)NC1=CC=C(C=C1)Br |
Product Overview
Methyl 5-(4-bromoanilino)-5-oxopentanoate (CAS 313393-58-7), with molecular formula C12H14BrNO3 and molecular weight 299.02 g/mol. IUPAC: methyl 5-(4-bromoanilino)-5-oxopentanoate.
Chemical Property Profile of Methyl 5-(4-bromoanilino)-5-oxopentanoate
Property Insights of Methyl 5-(4-bromoanilino)-5-oxopentanoate
The XLogP value of 2.7309 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-(4-bromoanilino)-5-oxopentanoate. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 5-(4-bromoanilino)-5-oxopentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 5-(4-bromoanilino)-5-oxopentanoate 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-(4-bromoanilino)-5-oxopentanoate?
The CAS number of Methyl 5-(4-bromoanilino)-5-oxopentanoate is 313393-58-7.
What is the molecular formula of Methyl 5-(4-bromoanilino)-5-oxopentanoate?
The molecular formula of Methyl 5-(4-bromoanilino)-5-oxopentanoate is C12H14BrNO3.
What is the molecular weight of Methyl 5-(4-bromoanilino)-5-oxopentanoate?
The molecular weight of Methyl 5-(4-bromoanilino)-5-oxopentanoate is 299.02 g/mol.
Where can I buy Methyl 5-(4-bromoanilino)-5-oxopentanoate?
You can request a quote for Methyl 5-(4-bromoanilino)-5-oxopentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-(4-bromoanilino)-5-oxopentanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-(4-bromoanilino)-5-oxopentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.