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CAS 161125-36-6 FMOC-DL-ISOSER-OH molecular structure lightbox
CAS RN: 161125-36-6

FMOC-DL-ISOSER-OH

  • Product code: SSC-068861
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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: ＞97%
  • 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 161125-36-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

161125-36-6 / 3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxypropanoic acid

Standard CAS: 161125-36-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
161125-36-6
Multi CAS
No
Molecular Formula
C18H17NO5
Molecular Weight
327.300000
Exact Mass
327.110673
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCC(C(=O)O)O
InChI
InChI=1S/C18H17NO5/c20-16(17(21)22)9-19-18(23)24-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16,20H,9-10H2,(H,19,23)(H,21,22)
InChIKey
OOFCRVWLJFLVCB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.22
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
3
Molar refractivity
86.71
TPSA
95.86

LogP / Solubility

WLOGP
1.97
MLOGP
1.75
XLogP3
2
Consensus LogP
1.91
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.02
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.32

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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