Home Cart 0 Sign in  

[ CAS No. 91000-69-0 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 91000-69-0
Chemical Structure| 91000-69-0
Structure of 91000-69-0 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 91000-69-0 ]

Related Doc. of [ 91000-69-0 ]

Alternatived Products of [ 91000-69-0 ]

Product Details of [ 91000-69-0 ]

CAS No. :91000-69-0 MDL No. :MFCD00051770
Formula : C21H24N4O4 Boiling Point : -
Linear Structure Formula :- InChI Key :DVBUCBXGDWWXNY-SFHVURJKSA-N
M.W : 396.44 Pubchem ID :2724631
Synonyms :
Fmoc-L-Arginine

Calculated chemistry of [ 91000-69-0 ]

Physicochemical Properties

Num. heavy atoms : 29
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.29
Num. rotatable bonds : 11
Num. H-bond acceptors : 5.0
Num. H-bond donors : 5.0
Molar Refractivity : 108.69
TPSA : 137.53 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.13 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.95
Log Po/w (XLOGP3) : 2.23
Log Po/w (WLOGP) : 2.24
Log Po/w (MLOGP) : 1.74
Log Po/w (SILICOS-IT) : 1.81
Consensus Log Po/w : 2.0

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.28
Solubility : 0.207 mg/ml ; 0.000521 mol/l
Class : Soluble
Log S (Ali) : -4.75
Solubility : 0.00699 mg/ml ; 0.0000176 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -5.45
Solubility : 0.00141 mg/ml ; 0.00000356 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 3.8

Safety of [ 91000-69-0 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 91000-69-0 ]

* 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 [ 91000-69-0 ]
  • Downstream synthetic route of [ 91000-69-0 ]

[ 91000-69-0 ] Synthesis Path-Upstream   1~10

  • 1
  • [ 74-79-3 ]
  • [ 82911-69-1 ]
  • [ 91000-69-0 ]
Reference: [1] Synthetic Communications, 2009, vol. 39, # 11, p. 2022 - 2031
  • 2
  • [ 74-79-3 ]
  • [ 28920-43-6 ]
  • [ 91000-69-0 ]
Reference: [1] Journal of the Chinese Chemical Society, 2011, vol. 58, # 4, p. 509 - 515
  • 3
  • [ 3006-96-0 ]
  • [ 1202179-48-3 ]
  • [ 91000-69-0 ]
Reference: [1] Synthesis, 2009, # 20, p. 3460 - 3466
  • 4
  • [ 3006-96-0 ]
  • [ 1009796-39-7 ]
  • [ 1202179-48-3 ]
  • [ 91000-69-0 ]
Reference: [1] Synthesis, 2009, # 20, p. 3460 - 3466
  • 5
  • [ 1202179-48-3 ]
  • [ 1202179-54-1 ]
  • [ 91000-69-0 ]
Reference: [1] Synthesis, 2009, # 20, p. 3460 - 3466
  • 6
  • [ 98930-01-9 ]
  • [ 91000-69-0 ]
Reference: [1] Zeitschrift fuer Naturforschung, B: Chemical Sciences, 1994, vol. 49, # 10, p. 1425 - 1433
  • 7
  • [ 116220-89-4 ]
  • [ 91000-69-0 ]
Reference: [1] Zeitschrift fuer Naturforschung, B: Chemical Sciences, 1994, vol. 49, # 10, p. 1425 - 1433
  • 8
  • [ 160252-91-5 ]
  • [ 91000-69-0 ]
Reference: [1] Zeitschrift fuer Naturforschung, B: Chemical Sciences, 1994, vol. 49, # 10, p. 1425 - 1433
  • 9
  • [ 162611-62-3 ]
  • [ 91000-69-0 ]
Reference: [1] Journal fuer Praktische Chemie/Chemiker-Zeitung, 1995, vol. 337, # 1, p. 12 - 17
  • 10
  • [ 91000-69-0 ]
  • [ 2937-50-0 ]
  • [ 148893-34-9 ]
Reference: [1] Patent: WO2017/21004, 2017, A1, . Location in patent: Page/Page column 17; 23
Same Skeleton Products
Historical Records

Related Functional Groups of
[ 91000-69-0 ]

Amino Acid Derivatives

Chemical Structure| 130752-32-8

[ 130752-32-8 ]

Fmoc-D-Arg-OH

Similarity: 0.97

Chemical Structure| 776277-76-0

[ 776277-76-0 ]

N2-(((9H-Fluoren-9-yl)methoxy)carbonyl)-N6-carbamimidoyl-L-lysine

Similarity: 0.97

Chemical Structure| 268564-10-9

[ 268564-10-9 ]

Fmoc-Arg(Me)2-OH

Similarity: 0.93

Chemical Structure| 1234-35-1

[ 1234-35-1 ]

Z-Arg-OH

Similarity: 0.88

Chemical Structure| 113712-05-3

[ 113712-05-3 ]

Z-D-Arg-OH.HCl

Similarity: 0.87