Home Cart 0 Sign in  
X

[ CAS No. 1566729-83-6 ] {[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+
3d Animation Molecule Structure of 1566729-83-6
Chemical Structure| 1566729-83-6
Chemical Structure| 1566729-83-6
Structure of 1566729-83-6 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 1566729-83-6 ]

Related Doc. of [ 1566729-83-6 ]

Alternatived Products of [ 1566729-83-6 ]

Product Details of [ 1566729-83-6 ]

CAS No. :1566729-83-6 MDL No. :MFCD30067170
Formula : C8H3Cl2FN2 Boiling Point : -
Linear Structure Formula :- InChI Key :DMTPQQJHSOOXJY-UHFFFAOYSA-N
M.W : 217.03 Pubchem ID :104782234
Synonyms :

Calculated chemistry of [ 1566729-83-6 ]

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 10
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 3.0
Num. H-bond donors : 0.0
Molar Refractivity : 49.52
TPSA : 25.78 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.33 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.13
Log Po/w (XLOGP3) : 3.23
Log Po/w (WLOGP) : 3.5
Log Po/w (MLOGP) : 2.85
Log Po/w (SILICOS-IT) : 3.61
Consensus Log Po/w : 3.06

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.79
Solubility : 0.0352 mg/ml ; 0.000162 mol/l
Class : Soluble
Log S (Ali) : -3.44
Solubility : 0.078 mg/ml ; 0.000359 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.85
Solubility : 0.00309 mg/ml ; 0.0000142 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.65

Safety of [ 1566729-83-6 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501 UN#:2811
Hazard Statements:H301-H311-H331 Packing Group:
GHS Pictogram:
Same Skeleton Products
Historical Records

Related Parent Nucleus of
[ 1566729-83-6 ]

Quinazolines

Chemical Structure| 1700297-25-1

[ 1700297-25-1 ]

4,8-Dichloro-5-fluoroquinazoline

Similarity: 0.96

Chemical Structure| 16499-61-9

[ 16499-61-9 ]

4-Chloro-6-fluoroquinazoline

Similarity: 0.90

Chemical Structure| 524955-72-4

[ 524955-72-4 ]

4-Chloro-5-fluoroquinazoline hydrochloride

Similarity: 0.88

Chemical Structure| 16499-60-8

[ 16499-60-8 ]

4-Chloro-5-fluoroquinazoline

Similarity: 0.88

Chemical Structure| 16499-62-0

[ 16499-62-0 ]

4-Chloro-7-fluoroquinazoline

Similarity: 0.88