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CAS 869107-32-4 Fmoc-beta-Iodo-L-Ala-OBzl molecular structure lightbox
CAS RN: 869107-32-4

Fmoc-beta-Iodo-L-Ala-OBzl

  • Product code: SSC-196227
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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 869107-32-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Beijing Inquiry

869107-32-4 / benzyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-iodopropanoate

Standard CAS: 869107-32-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
869107-32-4
Multi CAS
Yes
Molecular Formula
C25H22InO4
Molecular Weight
527.300000
Exact Mass
527.059360
InChI
InChI=1S/C25H22INO4/c26-14-23(24(28)30-15-17-8-2-1-3-9-17)27-25(29)31-16-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h1-13,22-23H,14-16H2,(H,27,29)/t23-/m0/s1
InChIKey
OXWWBZLBMCZQLM-QHCPKHFHSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
18
Fraction Csp3
0.2
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
1
Molar refractivity
127.12
TPSA
64.63

LogP / Solubility

WLOGP
5.07
MLOGP
4.5
XLogP3
5.6
Consensus LogP
5.06
Log S (ESOL)
-6.27
Class (ESOL)
Insoluble
Log S (Ali)
-7.55
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.14
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.34

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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