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Methyl 3-(3-{[(benzyloxy)carbonyl]amino}phenyl)propanoate
TL;DR: Methyl 3-(3-{[(benzyloxy)carbonyl]amino}phenyl)propanoate (CAS 124427-76-5) is a chemical compound with molecular formula C18H19NO4 and molecular weight 313.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[3-(phenylmethoxycarbonylamino)phenyl]propanoate
Also Known As: methyl 3-(3-{[(benzyloxy)carbonyl]amino}phenyl)propanoate, methyl 3-[3-(phenylmethoxycarbonylamino)phenyl]propanoate, Benzenepropanoic acid,3-[[(phenylmethoxy)carbonyl]amino]-, methyl ester
| Molecular Formula | C18H19NO4 |
|---|---|
| Molecular Weight | 313.13 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 313.1314 |
| Heavy Atoms | 23 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 124427-76-5 |
|---|---|
| SMILES | COC(=O)CCC1=CC(=CC=C1)NC(=O)OCC2=CC=CC=C2 |
| InChIKey | NAAPCXFWIBCPED-UHFFFAOYSA-N |
Product Overview
Methyl 3-(3-{[(benzyloxy)carbonyl]amino}phenyl)propanoate (CAS 124427-76-5), with molecular formula C18H19NO4 and molecular weight 313.13 g/mol. IUPAC: methyl 3-[3-(phenylmethoxycarbonylamino)phenyl]propanoate.
Chemical Property Profile of Methyl 3-(3-{[(benzyloxy)carbonyl]amino}phenyl)propanoate
Property Insights of Methyl 3-(3-{[(benzyloxy)carbonyl]amino}phenyl)propanoate
The XLogP value of 3.1 indicates that Methyl 3-(3-{[(benzyloxy)carbonyl]amino}phenyl)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(3-{[(benzyloxy)carbonyl]amino}phenyl)propanoate. Following Lipinski's Rule of Five, Methyl 3-(3-{[(benzyloxy)carbonyl]amino}phenyl)propanoate has 1 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-(3-{[(benzyloxy)carbonyl]amino}phenyl)propanoate?
The CAS number of Methyl 3-(3-{[(benzyloxy)carbonyl]amino}phenyl)propanoate is 124427-76-5.
What is the molecular formula of Methyl 3-(3-{[(benzyloxy)carbonyl]amino}phenyl)propanoate?
The molecular formula of Methyl 3-(3-{[(benzyloxy)carbonyl]amino}phenyl)propanoate is C18H19NO4.
What is the molecular weight of Methyl 3-(3-{[(benzyloxy)carbonyl]amino}phenyl)propanoate?
The molecular weight of Methyl 3-(3-{[(benzyloxy)carbonyl]amino}phenyl)propanoate is 313.13 g/mol.
Where can I buy Methyl 3-(3-{[(benzyloxy)carbonyl]amino}phenyl)propanoate?
You can request a quote for Methyl 3-(3-{[(benzyloxy)carbonyl]amino}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-(3-{[(benzyloxy)carbonyl]amino}phenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(3-{[(benzyloxy)carbonyl]amino}phenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.