Benzaldehyde dimethyl acetal

Name: Benzaldehyde dimethyl acetal
SKU: PI1125888
Rating: 5 (1 reviews)

Catalog NumberPI1125888

CAS Number1125-88-8

CategoryAntiemetics Intermediates

Product Details

Purity	97%
Molecular Formula	C9H12O2
Molecular Weight	152.19
Molar Refractivity	43.19

Download COA Download MSDS

Other Identifiers

Pubchem ID	62375
InChI Key	HEVMDQBCAHEHDY-UHFFFAOYSA-N
MDL Number	MFCD00008491

Computed Properties

Aromatic Heavy Atoms Number	6
BBB Permeant	Yes
Bioavailability Score	0.55
Brenk	1.0 alert
Consensus Log Po/w	1.85
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.33
Ghose	None
GI Absorption	High
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2.0
Hydrogen Bond Donor Count	0.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-6.12 cm/s
Log Po/w (iLOGP)	2.23
Log Po/w (MLOGP)	1.93
Log Po/w (SILICOS-IT)	1.85
Log Po/w (WLOGP)	1.65
Log Po/w (XLOGP3)	1.56
Muegge	1.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	3
Synthetic Accessibility	1.25
Topological Polar Surface Area	18.46 Å²
Veber	0.0

* 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