Home Cart 0 Sign in  

[ CAS No. 22323-80-4 ] {[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| 22323-80-4
Chemical Structure| 22323-80-4
Structure of 22323-80-4 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 22323-80-4 ]

Related Doc. of [ 22323-80-4 ]

Alternatived Products of [ 22323-80-4 ]

Product Details of [ 22323-80-4 ]

CAS No. :22323-80-4 MDL No. :MFCD00269683
Formula : C6H10O3 Boiling Point : -
Linear Structure Formula :- InChI Key :YSGPYVWACGYQDJ-RXMQYKEDSA-N
M.W : 130.14 Pubchem ID :11105390
Synonyms :

Calculated chemistry of [ 22323-80-4 ]

Physicochemical Properties

Num. heavy atoms : 9
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.83
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 0.0
Molar Refractivity : 31.25
TPSA : 35.53 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.11 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.46
Log Po/w (XLOGP3) : -0.02
Log Po/w (WLOGP) : 0.34
Log Po/w (MLOGP) : -0.41
Log Po/w (SILICOS-IT) : 1.15
Consensus Log Po/w : 0.5

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -0.57
Solubility : 35.2 mg/ml ; 0.27 mol/l
Class : Very soluble
Log S (Ali) : -0.28
Solubility : 68.8 mg/ml ; 0.529 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.64
Solubility : 30.2 mg/ml ; 0.232 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.62

Safety of [ 22323-80-4 ]

Signal Word:Danger Class:3
Precautionary Statements:P501-P273-P240-P210-P233-P243-P241-P242-P280-P370+P378-P312-P391-P303+P361+P353-P403+P235 UN#:1993
Hazard Statements:H303-H411-H225 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 22323-80-4 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Upstream synthesis route of [ 22323-80-4 ]
  • Downstream synthetic route of [ 22323-80-4 ]

[ 22323-80-4 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 22323-80-4 ]
  • [ 23735-43-5 ]
Reference: [1] Tetrahedron: Asymmetry, 1995, vol. 6, # 5, p. 1181 - 1190
[2] Journal of the American Chemical Society, 1980, vol. 102, # 20, p. 6304 - 6311
Same Skeleton Products
Historical Records