Diethyl 2-((phenylamino)methylene)malonate

Name: Diethyl 2-((phenylamino)methylene)malonate
SKU: PI54535227
Rating: 5 (1 reviews)

Cat. No.: PI54535227

Product Details Other Identifiers Computed Properties

CAS	54535-22-7
Purity	95%
Molecular Formula	C14H17NO4
Linear Formula	C6H5NHCHC(COOC2H5)2
Molecular Weight	263.29
Molar Refractivity	71.49

Pubchem ID	264327
InChI Key	PYPCDUKQEIPHAF-UHFFFAOYSA-N
MDL Number	MFCD00173404

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	4.0
Rotatable Bond Count	8
Topological Polar Surface Area	64.63 Å²
Heavy Atom Count	19
Aromatic Heavy Atoms Number	6
Fraction Csp3	0.29
Log Po/w (iLOGP)	3.04
Log Po/w (XLOGP3)	3.25
Log Po/w (WLOGP)	1.92
Log Po/w (MLOGP)	1.74
Log Po/w (SILICOS-IT)	1.94
Consensus Log Po/w	2.38
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-5.6 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	0.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	4.0 alert
Leadlikeness	1.0
Synthetic Accessibility	2.55

* Our products are for research use only.

Get in Touch

We’re glad to help you with your products and services demands. For any inquiry, question or recommendation, please send an email to or fill out the following form.

Name *

Phone

Email *

Address *

Products & Service of Interest *

Project Description

Verification Code *