Methyl 4-(4-chlorobutanoylamino)benzoate
TL;DR: Methyl 4-(4-chlorobutanoylamino)benzoate (CAS 353765-74-9) is a chemical compound with molecular formula C12H14ClNO3 and molecular weight 255.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(4-chlorobutanoylamino)benzoate
Also Known As: methyl 4-(4-chlorobutanamido)benzoate, methyl 4-(4-chlorobutanoylamino)benzoate, methyl 4-[(4-chlorobutanoyl)amino]benzoate, methyl4-(4-chlorobutanamido)benzoate, IDI1_007542
| Molecular Formula | C12H14ClNO3 |
|---|---|
| Molecular Weight | 255.07 g/mol |
| LogP | 2.4307 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 255.06622 |
| Heavy Atoms | 17 |
| Complexity | 389.24216 |
Chemical Identifiers
| CAS Number | 353765-74-9 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CCCCl |
Product Overview
Methyl 4-(4-chlorobutanoylamino)benzoate (CAS 353765-74-9), with molecular formula C12H14ClNO3 and molecular weight 255.07 g/mol. IUPAC: methyl 4-(4-chlorobutanoylamino)benzoate.
Chemical Property Profile of Methyl 4-(4-chlorobutanoylamino)benzoate
Property Insights of Methyl 4-(4-chlorobutanoylamino)benzoate
The XLogP value of 2.4307 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(4-chlorobutanoylamino)benzoate. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 4-(4-chlorobutanoylamino)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-(4-chlorobutanoylamino)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 4-(4-chlorobutanoylamino)benzoate?
The CAS number of Methyl 4-(4-chlorobutanoylamino)benzoate is 353765-74-9.
What is the molecular formula of Methyl 4-(4-chlorobutanoylamino)benzoate?
The molecular formula of Methyl 4-(4-chlorobutanoylamino)benzoate is C12H14ClNO3.
What is the molecular weight of Methyl 4-(4-chlorobutanoylamino)benzoate?
The molecular weight of Methyl 4-(4-chlorobutanoylamino)benzoate is 255.07 g/mol.
Where can I buy Methyl 4-(4-chlorobutanoylamino)benzoate?
You can request a quote for Methyl 4-(4-chlorobutanoylamino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(4-chlorobutanoylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(4-chlorobutanoylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.