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Methyl 3-[4-(azidoacetyl)phenyl]propanoate
TL;DR: Methyl 3-[4-(azidoacetyl)phenyl]propanoate (CAS 5472-63-9) is a chemical compound with molecular formula C12H13N3O3 and molecular weight 247.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[4-(2-azidoacetyl)phenyl]propanoate
Also Known As: Methyl 3-[4-(2-azidoacetyl)phenyl]propanoate, methyl 3-[4-(azidoacetyl)phenyl]propanoate
| Molecular Formula | C12H13N3O3 |
|---|---|
| Molecular Weight | 247.10 g/mol |
| LogP | 2.2852 |
| Topological Polar Surface Area | 92.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 247.09569 |
| Heavy Atoms | 18 |
| Complexity | 475.84595 |
Chemical Identifiers
| CAS Number | 5472-63-9 |
|---|---|
| SMILES | COC(=O)CCC1=CC=C(C=C1)C(=O)CN=[N+]=[N-] |
Product Overview
Methyl 3-[4-(azidoacetyl)phenyl]propanoate (CAS 5472-63-9), with molecular formula C12H13N3O3 and molecular weight 247.10 g/mol. IUPAC: methyl 3-[4-(2-azidoacetyl)phenyl]propanoate.
Chemical Property Profile of Methyl 3-[4-(azidoacetyl)phenyl]propanoate
Property Insights of Methyl 3-[4-(azidoacetyl)phenyl]propanoate
The XLogP value of 2.2852 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-[4-(azidoacetyl)phenyl]propanoate. The TPSA of 92.13 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-[4-(azidoacetyl)phenyl]propanoate. Following Lipinski's Rule of Five, Methyl 3-[4-(azidoacetyl)phenyl]propanoate has 0 hydrogen bond donor(s) and 4 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 3-[4-(azidoacetyl)phenyl]propanoate?
The CAS number of Methyl 3-[4-(azidoacetyl)phenyl]propanoate is 5472-63-9.
What is the molecular formula of Methyl 3-[4-(azidoacetyl)phenyl]propanoate?
The molecular formula of Methyl 3-[4-(azidoacetyl)phenyl]propanoate is C12H13N3O3.
What is the molecular weight of Methyl 3-[4-(azidoacetyl)phenyl]propanoate?
The molecular weight of Methyl 3-[4-(azidoacetyl)phenyl]propanoate is 247.10 g/mol.
Where can I buy Methyl 3-[4-(azidoacetyl)phenyl]propanoate?
You can request a quote for Methyl 3-[4-(azidoacetyl)phenyl]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-[4-(azidoacetyl)phenyl]propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-[4-(azidoacetyl)phenyl]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.