Home Cart 0 Sign in  
X

[ CAS No. 167015-23-8 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 167015-23-8
Chemical Structure| 167015-23-8
Chemical Structure| 167015-23-8
Structure of 167015-23-8 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 167015-23-8 ]

Related Doc. of [ 167015-23-8 ]

Alternatived Products of [ 167015-23-8 ]

Product Details of [ 167015-23-8 ]

CAS No. :167015-23-8 MDL No. :MFCD00672322
Formula : C38H33NO4S Boiling Point : -
Linear Structure Formula :- InChI Key :FKBGJLDYRSFHBT-DHUJRADRSA-N
M.W : 599.74 Pubchem ID :12967784
Synonyms :
Chemical Name :Fmoc-HoCys(Trt)-OH

Calculated chemistry of [ 167015-23-8 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 44
Num. arom. heavy atoms : 30
Fraction Csp3 : 0.16
Num. rotatable bonds : 13
Num. H-bond acceptors : 4.0
Num. H-bond donors : 2.0
Molar Refractivity : 175.72
TPSA : 100.93 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -4.02 cm/s

Lipophilicity

Log Po/w (iLOGP) : 3.8
Log Po/w (XLOGP3) : 8.37
Log Po/w (WLOGP) : 7.99
Log Po/w (MLOGP) : 5.67
Log Po/w (SILICOS-IT) : 7.56
Consensus Log Po/w : 6.68

Druglikeness

Lipinski : 2.0
Ghose : None
Veber : 1.0
Egan : 1.0
Muegge : 1.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -8.48
Solubility : 0.00000199 mg/ml ; 0.0000000033 mol/l
Class : Poorly soluble
Log S (Ali) : -10.36
Solubility : 0.0000000264 mg/ml ; 0.0 mol/l
Class : Insoluble
Log S (SILICOS-IT) : -12.74
Solubility : 0.0000000001 mg/ml ; 0.0 mol/l
Class : Insoluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 3.0
Synthetic accessibility : 5.41

Safety of [ 167015-23-8 ]

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

Application In Synthesis of [ 167015-23-8 ]

* 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 [ 167015-23-8 ]
  • Downstream synthetic route of [ 167015-23-8 ]

[ 167015-23-8 ] Synthesis Path-Upstream   1~4

  • 1
  • [ 82911-69-1 ]
  • [ 69955-57-3 ]
  • [ 167015-23-8 ]
Reference: [1] Journal of Medicinal Chemistry, 1996, vol. 39, # 7, p. 1361 - 1371
  • 2
  • [ 76-84-6 ]
  • [ 139224-85-4 ]
  • [ 167015-23-8 ]
Reference: [1] Tetrahedron, 2002, vol. 58, # 43, p. 8743 - 8750
  • 3
  • [ 82911-69-1 ]
  • [ 167015-23-8 ]
Reference: [1] Tetrahedron, 2002, vol. 58, # 43, p. 8743 - 8750
  • 4
  • [ 181370-86-5 ]
  • [ 167015-23-8 ]
Reference: [1] Tetrahedron, 2002, vol. 58, # 43, p. 8743 - 8750
Recommend Products
Same Skeleton Products
Historical Records

Related Functional Groups of
[ 167015-23-8 ]

Amino Acid Derivatives

Chemical Structure| 201419-16-1

[ 201419-16-1 ]

(S)-2-((tert-Butoxycarbonyl)amino)-4-(tritylthio)butanoic acid

Similarity: 0.94

Chemical Structure| 71989-28-1

[ 71989-28-1 ]

Fmoc-Met-OH

Similarity: 0.87

Chemical Structure| 112883-40-6

[ 112883-40-6 ]

Fmoc-D-Met-OH

Similarity: 0.87

Chemical Structure| 167015-11-4

[ 167015-11-4 ]

Fmoc-D-Cys(Trt)-OH

Similarity: 0.85

Chemical Structure| 103213-32-7

[ 103213-32-7 ]

Fmoc-Cys(Trt)-OH

Similarity: 0.85