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CAS 130851-23-9 FMOC-DAP(BOC)-OH molecular structure lightbox
CAS RN: 130851-23-9

FMOC-DAP(BOC)-OH

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250610 10g In stock Shanghai Inquiry
Batchno.20260214 1g In stock Shanghai Inquiry
Batchno.20250228 1g / 5g Out of stock 8-10 business days Inquiry
Batchno.20250617 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS130851-23-9
  • Purity/Analytical Methods: >99.0%
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130851-23-9 / 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Standard CAS: 130851-23-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
130851-23-9
Multi CAS
No
Molecular Formula
C23H26N2O6
Molecular Weight
426.500000
Exact Mass
426.179087
SMILES
CC(C)(C)OC(=O)NCC(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C23H26N2O6/c1-23(2,3)31-21(28)24-12-19(20(26)27)25-22(29)30-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,24,28)(H,25,29)(H,26,27)
InChIKey
PKAUMAVONPSDRW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.35
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
3
Molar refractivity
113.87
TPSA
113.96

LogP / Solubility

WLOGP
3.5
MLOGP
3.11
XLogP3
3.4
Consensus LogP
3.34
Log S (ESOL)
-4.58
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.06
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.83

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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