1-Bromoadamantane

Name: 1-Bromoadamantane
SKU: PI768901
Rating: 5 (1 reviews)

Cat. No.: PI768901

Product Details Other Identifiers Computed Properties

CAS	768-90-1
Synonyms	1-Bromoadamantane
Purity	98%
Molecular Formula	C10H15Br
Molecular Weight	215.13
Molar Refractivity	51.75

Pubchem ID	79106
InChI Key	VQHPRVYDKRESCL-UHFFFAOYSA-N
MDL Number	MFCD00074721

Hydrogen Bond Donor Count	0.0
Hydrogen Bond Acceptor Count	0.0
Rotatable Bond Count	0
Topological Polar Surface Area	0.0 Å²
Heavy Atom Count	11
Aromatic Heavy Atoms Number	0
Fraction Csp3	1.0
Log Po/w (iLOGP)	2.59
Log Po/w (XLOGP3)	4.14
Log Po/w (WLOGP)	3.35
Log Po/w (MLOGP)	3.95
Log Po/w (SILICOS-IT)	3.3
Consensus Log Po/w	3.47
GI Absorption	Low
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-4.67 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	1.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	1.0 alert
Leadlikeness	2.0
Synthetic Accessibility	5.46

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