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CAS 682800-84-6 FMOC-D-THR(TRT)-OH molecular structure lightbox
CAS RN: 682800-84-6

FMOC-D-THR(TRT)-OH

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250716 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-177995
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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 682800-84-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry

682800-84-6 / (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-trityloxybutanoic acid

Standard CAS: 682800-84-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
682800-84-6
Multi CAS
Yes
Molecular Formula
C38H33NO5
Molecular Weight
583.700000
Exact Mass
583.235873
InChI
InChI=1S/C38H33NO5/c1-26(44-38(27-15-5-2-6-16-27,28-17-7-3-8-18-28)29-19-9-4-10-20-29)35(36(40)41)39-37(42)43-25-34-32-23-13-11-21-30(32)31-22-12-14-24-33(31)34/h2-24,26,34-35H,25H2,1H3,(H,39,42)(H,40,41)/t26?,35-/m1/s1
InChIKey
JARBLLDDSTVWSM-YVDQWUPKSA-N

Computed Properties

Structural Parameters

Heavy atom count
44
Aromatic heavy atom count
30
Fraction Csp3
0.16
Rotatable bonds
10
H-bond acceptors
4
H-bond donors
2
Molar refractivity
169.38
TPSA
84.86

LogP / Solubility

WLOGP
7.38
MLOGP
6.54
XLogP3
7.6
Consensus LogP
7.17
Log S (ESOL)
-7.95
Class (ESOL)
Insoluble
Log S (Ali)
-9.67
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.78
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.04

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
6.5

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