![Methyl 4-[(3-chloropropanoyl)amino]benzoate structure](/static/products/1603/160313-42-8.webp)
Methyl 4-[(3-chloropropanoyl)amino]benzoate
TL;DR: Methyl 4-[(3-chloropropanoyl)amino]benzoate (CAS 160313-42-8) is a chemical compound with molecular formula C11H12ClNO3 and molecular weight 241.05057 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-(3-chloropropanoylamino)benzoate
Also Known As: methyl 4-[(3-chloropropanoyl)amino]benzoate, methyl 4-(3-chloropropanamido)benzoate, methyl 4-(3-chloropropanoylamino)benzoate, Heptanal,3-methyl-2-propyl, CHEMBRDG-BB 5557430
Technical Specifications
| Molecular Formula | C11H12ClNO3 |
| Molecular Weight | 241.05057 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 241.05057 Da |
| Heavy Atoms | 16 |
| Complexity | 250.0 |
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CCCl |
| InChIKey | ZGEJOSXYYOIJQQ-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 4-[(3-chloropropanoyl)amino]benzoate
Property Insights of Methyl 4-[(3-chloropropanoyl)amino]benzoate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-[(3-chloropropanoyl)amino]benzoate. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 4-[(3-chloropropanoyl)amino]benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-[(3-chloropropanoyl)amino]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
What is the CAS number of Methyl 4-[(3-chloropropanoyl)amino]benzoate?
The CAS number of Methyl 4-[(3-chloropropanoyl)amino]benzoate is 160313-42-8.
What is the molecular formula of Methyl 4-[(3-chloropropanoyl)amino]benzoate?
The molecular formula of Methyl 4-[(3-chloropropanoyl)amino]benzoate is C11H12ClNO3.
What is the molecular weight of Methyl 4-[(3-chloropropanoyl)amino]benzoate?
The molecular weight of Methyl 4-[(3-chloropropanoyl)amino]benzoate is 241.05057 g/mol.
Where can I buy Methyl 4-[(3-chloropropanoyl)amino]benzoate?
You can request a quote for Methyl 4-[(3-chloropropanoyl)amino]benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 4-[(3-chloropropanoyl)amino]benzoate?
Yes, CoreyChem provides custom synthesis services for Methyl 4-[(3-chloropropanoyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.