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[ CAS No. 32175-00-1 ] {[proInfo.proName]}

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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 32175-00-1
Chemical Structure| 32175-00-1
Chemical Structure| 32175-00-1
Structure of 32175-00-1 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 32175-00-1 ]

Related Doc. of [ 32175-00-1 ]

Alternatived Products of [ 32175-00-1 ]

Product Details of [ 32175-00-1 ]

CAS No. :32175-00-1 MDL No. :MFCD06411231
Formula : C8H13NO Boiling Point : -
Linear Structure Formula :- InChI Key :SWSXEZOUBBVKCO-UHFFFAOYSA-N
M.W : 139.19 Pubchem ID :11423635
Synonyms :
Chemical Name :trans-4-Methylcyclohexylisocyanate

Calculated chemistry of [ 32175-00-1 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.88
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 40.71
TPSA : 29.43 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) : -5.0 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.39
Log Po/w (XLOGP3) : 3.03
Log Po/w (WLOGP) : 1.9
Log Po/w (MLOGP) : 1.46
Log Po/w (SILICOS-IT) : 2.15
Consensus Log Po/w : 2.19

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.55
Solubility : 0.396 mg/ml ; 0.00285 mol/l
Class : Soluble
Log S (Ali) : -3.31
Solubility : 0.0676 mg/ml ; 0.000486 mol/l
Class : Soluble
Log S (SILICOS-IT) : -1.44
Solubility : 5.08 mg/ml ; 0.0365 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.58

Safety of [ 32175-00-1 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P233-P260-P261-P264-P270-P271-P280-P301+P310-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P322-P330-P332+P313-P337+P313-P340-P361-P362-P363-P403-P403+P233-P405-P501 UN#:2810
Hazard Statements:H301-H311-H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 32175-00-1 ]

* 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 [ 32175-00-1 ]
  • Downstream synthetic route of [ 32175-00-1 ]

[ 32175-00-1 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 32175-00-1 ]
  • [ 119018-29-0 ]
  • [ 93479-97-1 ]
Reference: [1] Patent: CN108383768, 2018, A, . Location in patent: Paragraph 0103-0106
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