Methyl 5-(4-iodoanilino)-5-oxopentanoate
TL;DR: Methyl 5-(4-iodoanilino)-5-oxopentanoate (CAS 331867-02-8) is a chemical compound with molecular formula C12H14INO3 and molecular weight 347.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(4-iodoanilino)-5-oxopentanoate
Also Known As: Methyl 5-(4-iodoanilino)-5-oxopentanoate, BAS 00829272, methyl 5-[(4-iodophenyl)amino]-5-oxopentanoate, Methyl 5-(4-iodoanilino)-5-oxopentanoate #, methyl 4-[N-(4-iodophenyl)carbamoyl]butanoate
| Molecular Formula | C12H14INO3 |
|---|---|
| Molecular Weight | 347.00 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 347.00183 |
| Heavy Atoms | 17 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 331867-02-8 |
|---|---|
| SMILES | COC(=O)CCCC(=O)NC1=CC=C(C=C1)I |
| InChIKey | DTCMDKAJEJWAAU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 5-(4-iodoanilino)-5-oxopentanoate (CAS 331867-02-8), with molecular formula C12H14INO3 and molecular weight 347.00 g/mol. IUPAC: methyl 5-(4-iodoanilino)-5-oxopentanoate.
Chemical Property Profile of Methyl 5-(4-iodoanilino)-5-oxopentanoate
Property Insights of Methyl 5-(4-iodoanilino)-5-oxopentanoate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-(4-iodoanilino)-5-oxopentanoate. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 5-(4-iodoanilino)-5-oxopentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 5-(4-iodoanilino)-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-iodoanilino)-5-oxopentanoate?
The CAS number of Methyl 5-(4-iodoanilino)-5-oxopentanoate is 331867-02-8.
What is the molecular formula of Methyl 5-(4-iodoanilino)-5-oxopentanoate?
The molecular formula of Methyl 5-(4-iodoanilino)-5-oxopentanoate is C12H14INO3.
What is the molecular weight of Methyl 5-(4-iodoanilino)-5-oxopentanoate?
The molecular weight of Methyl 5-(4-iodoanilino)-5-oxopentanoate is 347.00 g/mol.
Where can I buy Methyl 5-(4-iodoanilino)-5-oxopentanoate?
You can request a quote for Methyl 5-(4-iodoanilino)-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-iodoanilino)-5-oxopentanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-(4-iodoanilino)-5-oxopentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.