Dimethyl 2-(benzylamino)malonate
TL;DR: Dimethyl 2-(benzylamino)malonate (CAS 119506-92-2) is a chemical compound with molecular formula C12H15NO4 and molecular weight 237.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(benzylamino)propanedioate
Also Known As: Dimethyl 2-(benzylamino)malonate, Dimethyl 2-(benzylamino)malonate #, dimethyl 2-(benzylamino)propanedioate, 1,3-dimethyl 2-(benzylamino)propanedioate, Propanedioic iacid, 2-(N-benzylamino)-, dimethyl ester
| Molecular Formula | C12H15NO4 |
|---|---|
| Molecular Weight | 237.10 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 237.10011 |
| Heavy Atoms | 17 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 119506-92-2 |
|---|---|
| SMILES | COC(=O)C(C(=O)OC)NCC1=CC=CC=C1 |
| InChIKey | GFXWJXOHURLRQZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl 2-(benzylamino)malonate (CAS 119506-92-2), with molecular formula C12H15NO4 and molecular weight 237.10 g/mol. IUPAC: dimethyl 2-(benzylamino)propanedioate.
Chemical Property Profile of Dimethyl 2-(benzylamino)malonate
Property Insights of Dimethyl 2-(benzylamino)malonate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-(benzylamino)malonate. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-(benzylamino)malonate. Following Lipinski's Rule of Five, Dimethyl 2-(benzylamino)malonate has 1 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 Dimethyl 2-(benzylamino)malonate?
The CAS number of Dimethyl 2-(benzylamino)malonate is 119506-92-2.
What is the molecular formula of Dimethyl 2-(benzylamino)malonate?
The molecular formula of Dimethyl 2-(benzylamino)malonate is C12H15NO4.
What is the molecular weight of Dimethyl 2-(benzylamino)malonate?
The molecular weight of Dimethyl 2-(benzylamino)malonate is 237.10 g/mol.
Where can I buy Dimethyl 2-(benzylamino)malonate?
You can request a quote for Dimethyl 2-(benzylamino)malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-(benzylamino)malonate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-(benzylamino)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.