Home Cart 0 Sign in  
X

[ CAS No. 16935-34-5 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 16935-34-5
Chemical Structure| 16935-34-5
Chemical Structure| 16935-34-5
Structure of 16935-34-5 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 16935-34-5 ]

Related Doc. of [ 16935-34-5 ]

Alternatived Products of [ 16935-34-5 ]

Product Details of [ 16935-34-5 ]

CAS No. :16935-34-5 MDL No. :MFCD00022397
Formula : C6H10N2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :PBNUQCWZHRMSMS-UHFFFAOYSA-N
M.W : 142.16 Pubchem ID :103033
Synonyms :

Calculated chemistry of [ 16935-34-5 ]

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.67
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 2.0
Molar Refractivity : 43.06
TPSA : 58.2 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) : -7.42 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.02
Log Po/w (XLOGP3) : -0.36
Log Po/w (WLOGP) : -0.91
Log Po/w (MLOGP) : -0.15
Log Po/w (SILICOS-IT) : 0.21
Consensus Log Po/w : -0.04

Druglikeness

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

Water Solubility

Log S (ESOL) : -0.43
Solubility : 53.0 mg/ml ; 0.373 mol/l
Class : Very soluble
Log S (Ali) : -0.4
Solubility : 56.6 mg/ml ; 0.398 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.16
Solubility : 9.88 mg/ml ; 0.0695 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.85

Safety of [ 16935-34-5 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P280 UN#:N/A
Hazard Statements:H302-H317 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 16935-34-5 ]

* 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 [ 16935-34-5 ]
  • Downstream synthetic route of [ 16935-34-5 ]

[ 16935-34-5 ] Synthesis Path-Upstream   1~9

  • 1
  • [ 516-06-3 ]
  • [ 16935-34-5 ]
Reference: [1] Synlett, 2018, vol. 29, # 7, p. 943 - 948
  • 2
  • [ 1207610-49-8 ]
  • [ 16935-34-5 ]
Reference: [1] Chemical Research in Toxicology, 2010, vol. 23, # 3, p. 540 - 546
  • 3
  • [ 108-91-8 ]
  • [ 81965-27-7 ]
  • [ 114200-02-1 ]
  • [ 16935-34-5 ]
Reference: [1] Journal of Medicinal Chemistry, 1988, vol. 31, # 8, p. 1492 - 1495
  • 4
  • [ 26081-02-7 ]
  • [ 16935-34-5 ]
Reference: [1] Mendeleev Communications, 2008, vol. 18, # 2, p. 96 - 98
  • 5
  • [ 81965-27-7 ]
  • [ 75-01-4 ]
  • [ 107-21-1 ]
  • [ 75-07-0 ]
  • [ 16935-34-5 ]
  • [ 107-07-3 ]
Reference: [1] Journal of Medicinal Chemistry, 1988, vol. 31, # 8, p. 1492 - 1495
  • 6
  • [ 7526-77-4 ]
  • [ 16935-34-5 ]
Reference: [1] Journal of the Chemical Society, 1955, p. 2265,2269
  • 7
  • [ 91121-79-8 ]
  • [ 16935-34-5 ]
Reference: [1] Journal of the Chemical Society, 1955, p. 2265,2269
  • 8
  • [ 26081-00-5 ]
  • [ 16935-34-5 ]
Reference: [1] Journal of Organic Chemistry, 1973, vol. 38, # 8, p. 1527 - 1534
  • 9
  • [ 506-87-6 ]
  • [ 60586-49-4 ]
  • [ 16935-34-5 ]
Reference: [1] Canadian Journal of Chemistry, 1987, vol. 65, p. 282 - 289
Same Skeleton Products
Historical Records

Related Functional Groups of
[ 16935-34-5 ]

Amides

Chemical Structure| 67337-73-9

[ 67337-73-9 ]

5-Isobutylimidazolidine-2,4-dione

Similarity: 0.96

Chemical Structure| 699-51-4

[ 699-51-4 ]

1,3-Diazaspiro[4.4]nonane-2,4-dione

Similarity: 0.92

Chemical Structure| 13625-39-3

[ 13625-39-3 ]

1,3,8-Triazaspiro[4.5]decane-2,4-dione

Similarity: 0.88

Chemical Structure| 78222-09-0

[ 78222-09-0 ]

1,3,7-Triazaspiro[4.5]decane-2,4-dione

Similarity: 0.86

Chemical Structure| 77-71-4

[ 77-71-4 ]

5,5-Dimethylimidazolidine-2,4-dione

Similarity: 0.85

Related Parent Nucleus of
[ 16935-34-5 ]

Aliphatic Heterocycles

Chemical Structure| 67337-73-9

[ 67337-73-9 ]

5-Isobutylimidazolidine-2,4-dione

Similarity: 0.96

Chemical Structure| 699-51-4

[ 699-51-4 ]

1,3-Diazaspiro[4.4]nonane-2,4-dione

Similarity: 0.92

Chemical Structure| 13625-39-3

[ 13625-39-3 ]

1,3,8-Triazaspiro[4.5]decane-2,4-dione

Similarity: 0.88

Chemical Structure| 77-71-4

[ 77-71-4 ]

5,5-Dimethylimidazolidine-2,4-dione

Similarity: 0.85

Chemical Structure| 43189-50-0

[ 43189-50-0 ]

3-(4-Methyl-2,5-dioxoimidazolidin-4-yl)propanoic acid

Similarity: 0.83

Imidazolidines

Chemical Structure| 67337-73-9

[ 67337-73-9 ]

5-Isobutylimidazolidine-2,4-dione

Similarity: 0.96

Chemical Structure| 699-51-4

[ 699-51-4 ]

1,3-Diazaspiro[4.4]nonane-2,4-dione

Similarity: 0.92

Chemical Structure| 13625-39-3

[ 13625-39-3 ]

1,3,8-Triazaspiro[4.5]decane-2,4-dione

Similarity: 0.88

Chemical Structure| 78222-09-0

[ 78222-09-0 ]

1,3,7-Triazaspiro[4.5]decane-2,4-dione

Similarity: 0.86

Chemical Structure| 77-71-4

[ 77-71-4 ]

5,5-Dimethylimidazolidine-2,4-dione

Similarity: 0.85