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CAS 350241-80-4 FMOC-TYR(2-CLTRT)-OH molecular structure lightbox
CAS RN: 350241-80-4

FMOC-TYR(2-CLTRT)-OH

  • Product code: SSC-141729
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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: >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 350241-80-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 0 Out of Stock Shenzhen Inquiry

350241-80-4 / (2S)-3-[4-[(2-chlorophenyl)-diphenylmethoxy]phenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

Standard CAS: 350241-80-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
350241-80-4
Multi CAS
Yes
Molecular Formula
C43H34CLNO5
Molecular Weight
680.200000
Exact Mass
679.212551
InChI
InChI=1S/C43H34ClNO5/c44-39-22-12-11-21-38(39)43(30-13-3-1-4-14-30,31-15-5-2-6-16-31)50-32-25-23-29(24-26-32)27-40(41(46)47)45-42(48)49-28-37-35-19-9-7-17-33(35)34-18-8-10-20-36(34)37/h1-26,37,40H,27-28H2,(H,45,48)(H,46,47)/t40-/m0/s1
InChIKey
XYAWVRLFZHVTNW-FAIXQHPJSA-N

Computed Properties

Structural Parameters

Heavy atom count
50
Aromatic heavy atom count
36
Fraction Csp3
0.12
Rotatable bonds
11
H-bond acceptors
4
H-bond donors
2
Molar refractivity
194.62
TPSA
84.86

LogP / Solubility

WLOGP
9.25
MLOGP
8.19
XLogP3
9.9
Consensus LogP
9.11
Log S (ESOL)
-9.69
Class (ESOL)
Insoluble
Log S (Ali)
-11.81
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.07
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)
-0.31

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5

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