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CAS 1217608-75-7 FMOC-D-MEHIS(TRT)-OH molecular structure lightbox
CAS RN: 1217608-75-7

FMOC-D-MEHIS(TRT)-OH

  • Product code: SSC-024444
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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: 0.25g, 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 1217608-75-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1217608-75-7 / (2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-(1-tritylimidazol-4-yl)propanoic acid

Standard CAS: 1217608-75-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1217608-75-7
Multi CAS
No
Molecular Formula
C41H35N3O4
Molecular Weight
633.700000
Exact Mass
633.262757
SMILES
CN([C@H](CC1=CN(C=N1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O)C(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57
InChI
InChI=1S/C41H35N3O4/c1-43(40(47)48-27-37-35-23-13-11-21-33(35)34-22-12-14-24-36(34)37)38(39(45)46)25-32-26-44(28-42-32)41(29-15-5-2-6-16-29,30-17-7-3-8-18-30)31-19-9-4-10-20-31/h2-24,26,28,37-38H,25,27H2,1H3,(H,45,46)/t38-/m1/s1
InChIKey
JWVLJHMKVOZWMC-KXQOOQHDSA-N

Computed Properties

Structural Parameters

Heavy atom count
48
Aromatic heavy atom count
35
Fraction Csp3
0.15
Rotatable bonds
10
H-bond acceptors
5
H-bond donors
1
Molar refractivity
184.79
TPSA
84.66

LogP / Solubility

WLOGP
7.6
MLOGP
6.74
XLogP3
7.7
Consensus LogP
7.35
Log S (ESOL)
-8.44
Class (ESOL)
Insoluble
Log S (Ali)
-10.24
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.29
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)
-1.19

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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