![1,3-Dimethyl 2-[(dimethylamino)methylidene]propanedioate structure](/static/products/1885/18856-69-4.webp)
1,3-Dimethyl 2-[(dimethylamino)methylidene]propanedioate
TL;DR: 1,3-Dimethyl 2-[(dimethylamino)methylidene]propanedioate (CAS 18856-69-4) is a chemical compound with molecular formula C8H13NO4 and molecular weight 187.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(dimethylaminomethylidene)propanedioate
Also Known As: 1,3-dimethyl 2-[(dimethylamino)methylidene]propanedioate, Dimethyl ((dimethylamino)methylene)malonate, dimethyl 2-(dimethylaminomethylidene)propanedioate, N,N-Dimethylaminomethylenemalonic acid dimethyl ester, N,N-DIMETHYLAMINOMETHYLENEMALONICACIDDIMETHYLESTER
| Molecular Formula | C8H13NO4 |
|---|---|
| Molecular Weight | 187.08 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 187.08446 |
| Heavy Atoms | 13 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 18856-69-4 |
|---|---|
| SMILES | CN(C)C=C(C(=O)OC)C(=O)OC |
| InChIKey | XGBHOLSNBZBTQK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dimethyl 2-[(dimethylamino)methylidene]propanedioate (CAS 18856-69-4), with molecular formula C8H13NO4 and molecular weight 187.08 g/mol. IUPAC: dimethyl 2-(dimethylaminomethylidene)propanedioate.
Chemical Property Profile of 1,3-Dimethyl 2-[(dimethylamino)methylidene]propanedioate
Property Insights of 1,3-Dimethyl 2-[(dimethylamino)methylidene]propanedioate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dimethyl 2-[(dimethylamino)methylidene]propanedioate. With a topological polar surface area (TPSA) of 55.8 Ų, 1,3-Dimethyl 2-[(dimethylamino)methylidene]propanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dimethyl 2-[(dimethylamino)methylidene]propanedioate has 0 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 1,3-Dimethyl 2-[(dimethylamino)methylidene]propanedioate?
The CAS number of 1,3-Dimethyl 2-[(dimethylamino)methylidene]propanedioate is 18856-69-4.
What is the molecular formula of 1,3-Dimethyl 2-[(dimethylamino)methylidene]propanedioate?
The molecular formula of 1,3-Dimethyl 2-[(dimethylamino)methylidene]propanedioate is C8H13NO4.
What is the molecular weight of 1,3-Dimethyl 2-[(dimethylamino)methylidene]propanedioate?
The molecular weight of 1,3-Dimethyl 2-[(dimethylamino)methylidene]propanedioate is 187.08 g/mol.
Where can I buy 1,3-Dimethyl 2-[(dimethylamino)methylidene]propanedioate?
You can request a quote for 1,3-Dimethyl 2-[(dimethylamino)methylidene]propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethyl 2-[(dimethylamino)methylidene]propanedioate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethyl 2-[(dimethylamino)methylidene]propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.