![methyl 2-{[(E)-phenylmethylidene]amino}propanoate structure](/static/products/112/112674-72-3.png)
methyl 2-{[(E)-phenylmethylidene]amino}propanoate
TL;DR: methyl 2-{[(E)-phenylmethylidene]amino}propanoate (CAS 112674-72-3) is a chemical compound with molecular formula C11H13NO2 and molecular weight 191.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(benzylideneamino)propanoate
Also Known As: methyl 2-(benzylideneamino)propanoate, methyl 2-(benzyli-deneamino)propanoate, methyl 2-{[(E)-phenylmethylidene]amino}propanoate, N-benzylidene-d,l-alanine methyl ester, N-Benzylidene-2-methylglycine methyl ester
| Molecular Formula | C11H13NO2 |
|---|---|
| Molecular Weight | 191.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 191.09464 |
| Heavy Atoms | 14 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 112674-72-3 |
|---|---|
| SMILES | CC(C(=O)OC)N=CC1=CC=CC=C1 |
| InChIKey | KFRXBPMQYDULFE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
methyl 2-{[(E)-phenylmethylidene]amino}propanoate (CAS 112674-72-3), with molecular formula C11H13NO2 and molecular weight 191.09 g/mol. IUPAC: methyl 2-(benzylideneamino)propanoate.
Chemical Property Profile of methyl 2-{[(E)-phenylmethylidene]amino}propanoate
Property Insights of methyl 2-{[(E)-phenylmethylidene]amino}propanoate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-{[(E)-phenylmethylidene]amino}propanoate. With a topological polar surface area (TPSA) of 38.7 Ų, methyl 2-{[(E)-phenylmethylidene]amino}propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 2-{[(E)-phenylmethylidene]amino}propanoate has 0 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 2-{[(E)-phenylmethylidene]amino}propanoate?
The CAS number of methyl 2-{[(E)-phenylmethylidene]amino}propanoate is 112674-72-3.
What is the molecular formula of methyl 2-{[(E)-phenylmethylidene]amino}propanoate?
The molecular formula of methyl 2-{[(E)-phenylmethylidene]amino}propanoate is C11H13NO2.
What is the molecular weight of methyl 2-{[(E)-phenylmethylidene]amino}propanoate?
The molecular weight of methyl 2-{[(E)-phenylmethylidene]amino}propanoate is 191.09 g/mol.
Where can I buy methyl 2-{[(E)-phenylmethylidene]amino}propanoate?
You can request a quote for methyl 2-{[(E)-phenylmethylidene]amino}propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-{[(E)-phenylmethylidene]amino}propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-{[(E)-phenylmethylidene]amino}propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.