Home Cart 0 Sign in  

[ CAS No. 1906-82-7 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 1906-82-7
Chemical Structure| 1906-82-7
Structure of 1906-82-7 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 1906-82-7 ]

Related Doc. of [ 1906-82-7 ]

Alternatived Products of [ 1906-82-7 ]

Product Details of [ 1906-82-7 ]

CAS No. :1906-82-7 MDL No. :MFCD00009173
Formula : C6H11NO3 Boiling Point : -
Linear Structure Formula :- InChI Key :AMBDTBHJFINMSE-UHFFFAOYSA-N
M.W : 145.16 Pubchem ID :74702
Synonyms :
Ethyl acetylglycinate

Calculated chemistry of [ 1906-82-7 ]

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.67
Num. rotatable bonds : 5
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 35.24
TPSA : 55.4 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) : -7.43 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.58
Log Po/w (XLOGP3) : -0.34
Log Po/w (WLOGP) : -0.31
Log Po/w (MLOGP) : -0.16
Log Po/w (SILICOS-IT) : 0.06
Consensus Log Po/w : 0.17

Druglikeness

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

Water Solubility

Log S (ESOL) : -0.2
Solubility : 92.5 mg/ml ; 0.637 mol/l
Class : Very soluble
Log S (Ali) : -0.36
Solubility : 63.1 mg/ml ; 0.435 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.13
Solubility : 10.7 mg/ml ; 0.074 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.4

Safety of [ 1906-82-7 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 1906-82-7 ]

* 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 [ 1906-82-7 ]
  • Downstream synthetic route of [ 1906-82-7 ]

[ 1906-82-7 ] Synthesis Path-Upstream   1~7

  • 1
  • [ 1906-82-7 ]
  • [ 6436-59-5 ]
Reference: [1] Tetrahedron Letters, 2014, vol. 55, # 16, p. 2671 - 2674
  • 2
  • [ 1906-82-7 ]
  • [ 104-87-0 ]
  • [ 93634-54-9 ]
Reference: [1] Organic Letters, 2016, vol. 18, # 15, p. 3586 - 3589
  • 3
  • [ 1906-82-7 ]
  • [ 874-42-0 ]
  • [ 27034-51-1 ]
Reference: [1] RSC Advances, 2017, vol. 7, # 23, p. 13754 - 13759
  • 4
  • [ 1906-82-7 ]
  • [ 94569-84-3 ]
  • [ 348-36-7 ]
Reference: [1] Tetrahedron Letters, 2010, vol. 51, # 50, p. 6549 - 6551
[2] RSC Advances, 2017, vol. 7, # 23, p. 13754 - 13759
  • 5
  • [ 174265-12-4 ]
  • [ 1906-82-7 ]
  • [ 4792-67-0 ]
Reference: [1] Tetrahedron Letters, 2010, vol. 51, # 50, p. 6549 - 6551
[2] RSC Advances, 2017, vol. 7, # 23, p. 13754 - 13759
  • 6
  • [ 1906-82-7 ]
  • [ 5392-10-9 ]
  • [ 16382-18-6 ]
Reference: [1] Tetrahedron Letters, 2010, vol. 51, # 50, p. 6549 - 6551
  • 7
  • [ 7647-01-0 ]
  • [ 64-17-5 ]
  • [ 1906-82-7 ]
  • [ 623-33-6 ]
  • [ 141-78-6 ]
Reference: [1] Journal fuer Praktische Chemie (Leipzig), 1895, vol. <2>52, p. 440
[2] Chemische Berichte, 1884, vol. 17, p. 1665
Same Skeleton Products
Historical Records

Related Functional Groups of
[ 1906-82-7 ]

Amino Acid Derivatives

Chemical Structure| 34597-05-2

[ 34597-05-2 ]

Ethyl 2-(N-methylacetamido)acetate

Similarity: 0.91

Chemical Structure| 3154-51-6

[ 3154-51-6 ]

N-FormylglycineEthylEster

Similarity: 0.91

Chemical Structure| 6290-05-7

[ 6290-05-7 ]

Diethyl 2,2'-azanediyldiacetate

Similarity: 0.84

Chemical Structure| 34597-05-2

[ 34597-05-2 ]

Ethyl 2-(N-methylacetamido)acetate

Similarity: 0.91

Chemical Structure| 3154-51-6

[ 3154-51-6 ]

N-FormylglycineEthylEster

Similarity: 0.91