Home Cart 0 Sign in  
X

[ CAS No. 5303-65-1 ] {[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 5303-65-1
Chemical Structure| 5303-65-1
Chemical Structure| 5303-65-1
Structure of 5303-65-1 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 5303-65-1 ]

Related Doc. of [ 5303-65-1 ]

Alternatived Products of [ 5303-65-1 ]

Product Details of [ 5303-65-1 ]

CAS No. :5303-65-1 MDL No. :MFCD00008086
Formula : C6H13NO2 Boiling Point : -
Linear Structure Formula :- InChI Key :HHIOOBJZIASBFF-UHFFFAOYSA-N
M.W : 131.17 Pubchem ID :98103
Synonyms :

Calculated chemistry of [ 5303-65-1 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 9
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.83
Num. rotatable bonds : 4
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 34.95
TPSA : 52.32 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) : -7.16 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.48
Log Po/w (XLOGP3) : -0.09
Log Po/w (WLOGP) : 0.29
Log Po/w (MLOGP) : 0.39
Log Po/w (SILICOS-IT) : 0.17
Consensus Log Po/w : 0.45

Druglikeness

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

Water Solubility

Log S (ESOL) : -0.33
Solubility : 61.0 mg/ml ; 0.465 mol/l
Class : Very soluble
Log S (Ali) : -0.56
Solubility : 36.4 mg/ml ; 0.278 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.81
Solubility : 20.5 mg/ml ; 0.156 mol/l
Class : Soluble

Medicinal Chemistry

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

Safety of [ 5303-65-1 ]

Signal Word:Danger Class:3
Precautionary Statements:P210-P302+P352-P305+P351+P338 UN#:3272
Hazard Statements:H225-H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 5303-65-1 ]

* 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 [ 5303-65-1 ]
  • Downstream synthetic route of [ 5303-65-1 ]

[ 5303-65-1 ] Synthesis Path-Upstream   1~3

  • 1
  • [ 5303-65-1 ]
  • [ 2867-59-6 ]
Reference: [1] Journal of Medicinal Chemistry, 2006, vol. 49, # 1, p. 399 - 406
[2] Journal of the American Chemical Society, 1957, vol. 79, p. 3839,3844
[3] Patent: WO2006/74003, 2006, A2, . Location in patent: Page/Page column 136
  • 2
  • [ 5303-65-1 ]
  • [ 61477-39-2 ]
  • [ 61477-40-5 ]
Reference: [1] Tetrahedron Letters, 1992, vol. 33, # 20, p. 2895 - 2898
  • 3
  • [ 5303-65-1 ]
  • [ 61477-39-2 ]
  • [ 61477-40-5 ]
Reference: [1] Tetrahedron Letters, 1992, vol. 33, # 20, p. 2895 - 2898
Recommend Products
Same Skeleton Products
Historical Records

Similar Product of
[ 5303-65-1 ]

Chemical Structure| 102014-64-2

A385312[ 102014-64-2 ]

Ethyl 3-aminobutanoate hydrochloride

Reason: Free-salt

Related Functional Groups of
[ 5303-65-1 ]

Amino Acid Derivatives

Chemical Structure| 78221-22-4

[ 78221-22-4 ]

Ethyl 3-aminoheptanoate

Similarity: 0.94

Chemical Structure| 6078-06-4

[ 6078-06-4 ]

Methyl 3-aminobutanoate

Similarity: 0.93

Chemical Structure| 103189-63-5

[ 103189-63-5 ]

(R)-Methyl 3-aminobutanoate

Similarity: 0.93

Chemical Structure| 945419-79-4

[ 945419-79-4 ]

Ethyl 3-aminohexanoate hydrochloride

Similarity: 0.91

Chemical Structure| 139243-55-3

[ 139243-55-3 ]

(S)-Methyl 3-aminobutanoate hydrochloride

Similarity: 0.90