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CAS 608512-85-2 FMOC-ASP(OFM)-OH molecular structure lightbox
CAS RN: 608512-85-2

FMOC-ASP(OFM)-OH

  • Product code: SSC-169518
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: >95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 608512-85-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry

608512-85-2 / (2S)-4-(9H-fluoren-9-ylmethoxy)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoic acid

Standard CAS: 608512-85-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
608512-85-2
Multi CAS
Yes
Molecular Formula
C33H27NO6
Molecular Weight
533.600000
Exact Mass
533.183838
InChI
InChI=1S/C33H27NO6/c35-31(39-18-28-24-13-5-1-9-20(24)21-10-2-6-14-25(21)28)17-30(32(36)37)34-33(38)40-19-29-26-15-7-3-11-22(26)23-12-4-8-16-27(23)29/h1-16,28-30H,17-19H2,(H,34,38)(H,36,37)/t30-/m0/s1
InChIKey
JBLJMACTOMSWJQ-PMERELPUSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
24
Fraction Csp3
0.18
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
2
Molar refractivity
148.93
TPSA
101.93

LogP / Solubility

WLOGP
5.72
MLOGP
5.08
XLogP3
5.6
Consensus LogP
5.47
Log S (ESOL)
-6.67
Class (ESOL)
Insoluble
Log S (Ali)
-8.07
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.84
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.91

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
6

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