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CAS 281655-34-3 (2S,4R)-FMOC-4-TRITYLMERCAPTO-PYRROLIDINE-2-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 281655-34-3

(2S,4R)-FMOC-4-TRITYLMERCAPTO-PYRROLIDINE-2-CARBOXYLIC ACID

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250628 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-128895
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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 281655-34-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Beijing Inquiry

281655-34-3 / (2S,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-tritylsulfanylpyrrolidine-2-carboxylic acid

Standard CAS: 281655-34-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
281655-34-3
Multi CAS
Yes
Molecular Formula
C39H33NO4S
Molecular Weight
611.700000
Exact Mass
611.213030
InChI
InChI=1S/C39H33NO4S/c41-37(42)36-24-30(25-40(36)38(43)44-26-35-33-22-12-10-20-31(33)32-21-11-13-23-34(32)35)45-39(27-14-4-1-5-15-27,28-16-6-2-7-17-28)29-18-8-3-9-19-29/h1-23,30,35-36H,24-26H2,(H,41,42)/t30-,36+/m1/s1
InChIKey
CHBJBMXEGJSHBN-GERKYKROSA-N

Computed Properties

Structural Parameters

Heavy atom count
45
Aromatic heavy atom count
30
Fraction Csp3
0.18
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
1
Molar refractivity
178.4
TPSA
66.84

LogP / Solubility

WLOGP
8.19
MLOGP
7.26
XLogP3
8.4
Consensus LogP
7.95
Log S (ESOL)
-8.76
Class (ESOL)
Insoluble
Log S (Ali)
-10.49
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.39
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-0.64

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7

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