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CAS 198561-87-4 FMOC-O-T-BUTYL-L-SERINOL molecular structure lightbox
CAS RN: 198561-87-4

FMOC-O-T-BUTYL-L-SERINOL

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251007 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-093575
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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: ≥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 198561-87-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Hong Kong Inquiry

198561-87-4 / 9H-fluoren-9-ylmethyl N-[(2R)-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]carbamate

Standard CAS: 198561-87-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
198561-87-4
Multi CAS
No
Molecular Formula
C22H27NO4
Molecular Weight
369.500000
Exact Mass
369.194008
SMILES
CC(C)(C)OC[C@@H](CO)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C22H27NO4/c1-22(2,3)27-13-15(12-24)23-21(25)26-14-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,15,20,24H,12-14H2,1-3H3,(H,23,25)/t15-/m1/s1
InChIKey
CPEHAICNNOERSX-OAHLLOKOSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.41
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
104.78
TPSA
67.79

LogP / Solubility

WLOGP
3.7
MLOGP
3.28
XLogP3
3.3
Consensus LogP
3.43
Log S (ESOL)
-4.4
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.85
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.35

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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