Home Cart 0 Sign in  

[ CAS No. 90390-27-5 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
HazMat Fee +

There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.

Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 100+
Accessible (Haz class 3, 4, 5 or 8), International USD 200+
Chemical Structure| 90390-27-5
Chemical Structure| 90390-27-5
Structure of 90390-27-5 * Storage: {[proInfo.prStorage]}

Please Login or Create an Account to: See VIP prices and availability

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

* Shipping: {[proInfo.prShipping]}

Quality Control of [ 90390-27-5 ]

Related Doc. of [ 90390-27-5 ]

Alternatived Products of [ 90390-27-5 ]
Product Citations

Product Details of [ 90390-27-5 ]

CAS No. :90390-27-5 MDL No. :MFCD00061244
Formula : C7H7F2N Boiling Point : No data available
Linear Structure Formula :- InChI Key :VJNGGOMRUHYAMC-UHFFFAOYSA-N
M.W : 143.13 Pubchem ID :145211
Synonyms :

Calculated chemistry of [ 90390-27-5 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.14
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 34.03
TPSA : 26.02 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.48 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.68
Log Po/w (XLOGP3) : 0.98
Log Po/w (WLOGP) : 2.11
Log Po/w (MLOGP) : 2.41
Log Po/w (SILICOS-IT) : 2.28
Consensus Log Po/w : 1.89

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -1.72
Solubility : 2.71 mg/ml ; 0.0189 mol/l
Class : Very soluble
Log S (Ali) : -1.11
Solubility : 11.0 mg/ml ; 0.0768 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.98
Solubility : 0.151 mg/ml ; 0.00105 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.0

Safety of [ 90390-27-5 ]

Signal Word:Danger Class:8
Precautionary Statements:P280-P305+P351+P338-P310 UN#:2735
Hazard Statements:H227-H314 Packing Group:
GHS Pictogram:
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 90390-27-5 ]

Fluorinated Building Blocks

Chemical Structure| 100-82-3

[ 100-82-3 ]

(3-Fluorophenyl)methanamine

Similarity: 0.94

Chemical Structure| 140-75-0

[ 140-75-0 ]

(4-Fluorophenyl)methanamine

Similarity: 0.94

Chemical Structure| 85118-06-5

[ 85118-06-5 ]

(2,5-Difluorophenyl)methanamine

Similarity: 0.92

Chemical Structure| 771465-40-8

[ 771465-40-8 ]

(R)-1-(3,5-Difluorophenyl)ethanamine

Similarity: 0.89

Chemical Structure| 235088-69-4

[ 235088-69-4 ]

(3,4,5-Trifluorophenyl)methanamine

Similarity: 0.89

Aryls

Chemical Structure| 100-82-3

[ 100-82-3 ]

(3-Fluorophenyl)methanamine

Similarity: 0.94

Chemical Structure| 140-75-0

[ 140-75-0 ]

(4-Fluorophenyl)methanamine

Similarity: 0.94

Chemical Structure| 85118-06-5

[ 85118-06-5 ]

(2,5-Difluorophenyl)methanamine

Similarity: 0.92

Chemical Structure| 771465-40-8

[ 771465-40-8 ]

(R)-1-(3,5-Difluorophenyl)ethanamine

Similarity: 0.89

Chemical Structure| 235088-69-4

[ 235088-69-4 ]

(3,4,5-Trifluorophenyl)methanamine

Similarity: 0.89

Amines

Chemical Structure| 100-82-3

[ 100-82-3 ]

(3-Fluorophenyl)methanamine

Similarity: 0.94

Chemical Structure| 140-75-0

[ 140-75-0 ]

(4-Fluorophenyl)methanamine

Similarity: 0.94

Chemical Structure| 85118-06-5

[ 85118-06-5 ]

(2,5-Difluorophenyl)methanamine

Similarity: 0.92

Chemical Structure| 771465-40-8

[ 771465-40-8 ]

(R)-1-(3,5-Difluorophenyl)ethanamine

Similarity: 0.89

Chemical Structure| 235088-69-4

[ 235088-69-4 ]

(3,4,5-Trifluorophenyl)methanamine

Similarity: 0.89

; ;