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CAS 161125-35-5 N-Fmoc-DL-homoserine molecular structure lightbox
CAS RN: 161125-35-5

N-Fmoc-DL-homoserine

  • Product code: SSC-068860
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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: 5g
  • 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 161125-35-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

161125-35-5 / 2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybutanoic acid

Standard CAS: 161125-35-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
161125-35-5
Multi CAS
No
Molecular Formula
C19H19NO5
Molecular Weight
341.400000
Exact Mass
341.126323
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CCO)C(=O)O
InChI
InChI=1S/C19H19NO5/c21-10-9-17(18(22)23)20-19(24)25-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16-17,21H,9-11H2,(H,20,24)(H,22,23)
InChIKey
YFCXLWRCVZSPCF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.26
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
3
Molar refractivity
91.33
TPSA
95.86

LogP / Solubility

WLOGP
2.36
MLOGP
2.09
XLogP3
2.4
Consensus LogP
2.28
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.56
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.13

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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