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CAS 133367-34-7 FMOC-HIS(MTT)-OH molecular structure lightbox
CAS RN: 133367-34-7

FMOC-HIS(MTT)-OH

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250518 5g Out of stock 15 business days Inquiry
  • Product code: SSC-040055
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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 133367-34-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Beijing Inquiry

133367-34-7 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[1-[(4-methylphenyl)-diphenylmethyl]imidazol-4-yl]propanoic acid

Standard CAS: 133367-34-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
133367-34-7
Multi CAS
No
Molecular Formula
C41H35N3O4
Molecular Weight
633.700000
Exact Mass
633.262757
SMILES
CC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=C(N=C4)C[C@@H](C(=O)O)NC(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57
InChI
InChI=1S/C41H35N3O4/c1-28-20-22-31(23-21-28)41(29-12-4-2-5-13-29,30-14-6-3-7-15-30)44-25-32(42-27-44)24-38(39(45)46)43-40(47)48-26-37-35-18-10-8-16-33(35)34-17-9-11-19-36(34)37/h2-23,25,27,37-38H,24,26H2,1H3,(H,43,47)(H,45,46)/t38-/m0/s1
InChIKey
MNOCIIYDYLYWEU-LHEWISCISA-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
2
Molar refractivity
184.9
TPSA
93.45

LogP / Solubility

WLOGP
7.57
MLOGP
6.71
XLogP3
7.9
Consensus LogP
7.39
Log S (ESOL)
-8.42
Class (ESOL)
Insoluble
Log S (Ali)
-10.22
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.26
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)
-1.21

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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