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CAS 159618-54-9 FMOC-D-PEN(4-MEOBZL)-OH molecular structure lightbox
CAS RN: 159618-54-9

FMOC-D-PEN(4-MEOBZL)-OH

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251006 100mg Out of stock 15 business days Inquiry
  • Product code: SSC-067579
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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 159618-54-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

159618-54-9 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(4-methoxyphenyl)methylsulfanyl]-3-methylbutanoic acid

Standard CAS: 159618-54-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
159618-54-9
Multi CAS
No
Molecular Formula
C28H29NO5S
Molecular Weight
491.600000
Exact Mass
491.176644
SMILES
CC(C)([C@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)SCC4=CC=C(C=C4)OC
InChI
InChI=1S/C28H29NO5S/c1-28(2,35-17-18-12-14-19(33-3)15-13-18)25(26(30)31)29-27(32)34-16-24-22-10-6-4-8-20(22)21-9-5-7-11-23(21)24/h4-15,24-25H,16-17H2,1-3H3,(H,29,32)(H,30,31)/t25-/m0/s1
InChIKey
VLSRXSQDFSBEAO-VWLOTQADSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
18
Fraction Csp3
0.29
Rotatable bonds
9
H-bond acceptors
5
H-bond donors
2
Molar refractivity
138
TPSA
84.86

LogP / Solubility

WLOGP
5.7
MLOGP
5.05
XLogP3
5.4
Consensus LogP
5.38
Log S (ESOL)
-6.26
Class (ESOL)
Insoluble
Log S (Ali)
-7.71
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.67
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.67

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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