Dimethyl 2-(Phenylamino)-2-butenedioate
TL;DR: Dimethyl 2-(Phenylamino)-2-butenedioate (CAS 4916-29-4) is a chemical compound with molecular formula C12H13NO4 and molecular weight 235.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-anilinobut-2-enedioate
Also Known As: dimethyl 2-anilinobut-2-enedioate, Dimethyl 2-(Phenylamino)-2-butenedioate, 4-Amino-2-fluorobenzonitrile, Dimethyl 2-(phenylamino)fumarate, dimethyl (Z)-2-anilinobut-2-enedioate
| Molecular Formula | C12H13NO4 |
|---|---|
| Molecular Weight | 235.08 g/mol |
| LogP | 1.3284 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.08446 |
| Heavy Atoms | 17 |
| Complexity | 425.39157 |
Chemical Identifiers
| CAS Number | 4916-29-4 |
|---|---|
| SMILES | COC(=O)C=C(C(=O)OC)NC1=CC=CC=C1 |
Product Overview
Dimethyl 2-(Phenylamino)-2-butenedioate (CAS 4916-29-4), with molecular formula C12H13NO4 and molecular weight 235.08 g/mol. IUPAC: dimethyl 2-anilinobut-2-enedioate.
Chemical Property Profile of Dimethyl 2-(Phenylamino)-2-butenedioate
Property Insights of Dimethyl 2-(Phenylamino)-2-butenedioate
The XLogP value of 1.3284 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-(Phenylamino)-2-butenedioate. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-(Phenylamino)-2-butenedioate. Following Lipinski's Rule of Five, Dimethyl 2-(Phenylamino)-2-butenedioate 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-(Phenylamino)-2-butenedioate?
The CAS number of Dimethyl 2-(Phenylamino)-2-butenedioate is 4916-29-4.
What is the molecular formula of Dimethyl 2-(Phenylamino)-2-butenedioate?
The molecular formula of Dimethyl 2-(Phenylamino)-2-butenedioate is C12H13NO4.
What is the molecular weight of Dimethyl 2-(Phenylamino)-2-butenedioate?
The molecular weight of Dimethyl 2-(Phenylamino)-2-butenedioate is 235.08 g/mol.
Where can I buy Dimethyl 2-(Phenylamino)-2-butenedioate?
You can request a quote for Dimethyl 2-(Phenylamino)-2-butenedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-(Phenylamino)-2-butenedioate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-(Phenylamino)-2-butenedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.