![methyl 3-{N-[2-(2-bromo-4-methylphenoxy)acetylamino]carbamoyl}propanoate structure](/static/products/444/444151-65-9.png)
methyl 3-{N-[2-(2-bromo-4-methylphenoxy)acetylamino]carbamoyl}propanoate
TL;DR: methyl 3-{N-[2-(2-bromo-4-methylphenoxy)acetylamino]carbamoyl}propanoate (CAS 444151-65-9) is a chemical compound with molecular formula C14H17BrN2O5 and molecular weight 372.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[2-[2-(2-bromo-4-methylphenoxy)acetyl]hydrazinyl]-4-oxobutanoate
Also Known As: methyl 4-{2-[(2-bromo-4-methylphenoxy)acetyl]hydrazino}-4-oxobutanoate, methyl 3-{N-[2-(2-bromo-4-methylphenoxy)acetylamino]carbamoyl}propanoate, METHYL 4-[2-(2-BROMO-4-METHYLPHENOXY)ACETOHYDRAZIDO]-4-OXOBUTANOATE, methyl 4-[2-[2-(2-bromo-4-methylphenoxy)acetyl]hydrazinyl]-4-oxobutanoate, methyl 4-{2-[(2-bromo-4-methylphenoxy)acetyl]hydrazinyl}-4-oxobutanoate
| Molecular Formula | C14H17BrN2O5 |
|---|---|
| Molecular Weight | 372.03 g/mol |
| LogP | 1.23692 |
| Topological Polar Surface Area | 93.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 372.03207 |
| Heavy Atoms | 22 |
| Complexity | 562.16425 |
Chemical Identifiers
| CAS Number | 444151-65-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OCC(=O)NNC(=O)CCC(=O)OC)Br |
Product Overview
methyl 3-{N-[2-(2-bromo-4-methylphenoxy)acetylamino]carbamoyl}propanoate (CAS 444151-65-9), with molecular formula C14H17BrN2O5 and molecular weight 372.03 g/mol. IUPAC: methyl 4-[2-[2-(2-bromo-4-methylphenoxy)acetyl]hydrazinyl]-4-oxobutanoate.
Chemical Property Profile of methyl 3-{N-[2-(2-bromo-4-methylphenoxy)acetylamino]carbamoyl}propanoate
Property Insights of methyl 3-{N-[2-(2-bromo-4-methylphenoxy)acetylamino]carbamoyl}propanoate
The XLogP value of 1.23692 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-{N-[2-(2-bromo-4-methylphenoxy)acetylamino]carbamoyl}propanoate. The TPSA of 93.73 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-{N-[2-(2-bromo-4-methylphenoxy)acetylamino]carbamoyl}propanoate. Following Lipinski's Rule of Five, methyl 3-{N-[2-(2-bromo-4-methylphenoxy)acetylamino]carbamoyl}propanoate has 2 hydrogen bond donor(s) and 5 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-{N-[2-(2-bromo-4-methylphenoxy)acetylamino]carbamoyl}propanoate?
The CAS number of methyl 3-{N-[2-(2-bromo-4-methylphenoxy)acetylamino]carbamoyl}propanoate is 444151-65-9.
What is the molecular formula of methyl 3-{N-[2-(2-bromo-4-methylphenoxy)acetylamino]carbamoyl}propanoate?
The molecular formula of methyl 3-{N-[2-(2-bromo-4-methylphenoxy)acetylamino]carbamoyl}propanoate is C14H17BrN2O5.
What is the molecular weight of methyl 3-{N-[2-(2-bromo-4-methylphenoxy)acetylamino]carbamoyl}propanoate?
The molecular weight of methyl 3-{N-[2-(2-bromo-4-methylphenoxy)acetylamino]carbamoyl}propanoate is 372.03 g/mol.
Where can I buy methyl 3-{N-[2-(2-bromo-4-methylphenoxy)acetylamino]carbamoyl}propanoate?
You can request a quote for methyl 3-{N-[2-(2-bromo-4-methylphenoxy)acetylamino]carbamoyl}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-{N-[2-(2-bromo-4-methylphenoxy)acetylamino]carbamoyl}propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-{N-[2-(2-bromo-4-methylphenoxy)acetylamino]carbamoyl}propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.