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CAS 1446013-08-6 Fmoc-His-Aib-OH TFA molecular structure lightbox
CAS RN: 1446013-08-6

Fmoc-His-Aib-OH TFA

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260129 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-055820
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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 1446013-08-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1446013-08-6 / 2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]-2-methylpropanoic acid;2,2,2-trifluoroacetic acid

Standard CAS: 1446013-08-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1446013-08-6
Multi CAS
No
Molecular Formula
C27H27F3N4O7
Molecular Weight
576.500000
Exact Mass
576.183184
SMILES
CC(C)(C(=O)O)NC(=O)[C@H](CC1=CN=CN1)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C25H26N4O5.C2HF3O2/c1-25(2,23(31)32)29-22(30)21(11-15-12-26-14-27-15)28-24(33)34-13-20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20;3-2(4,5)1(6)7/h3-10,12,14,20-21H,11,13H2,1-2H3,(H,26,27)(H,28,33)(H,29,30)(H,31,32);(H,6,7)/t21-;/m0./s1
InChIKey
HKIYFCVPNDIRNF-BOXHHOBZSA-N

Computed Properties

Structural Parameters

Heavy atom count
41
Aromatic heavy atom count
17
Fraction Csp3
0.3
Rotatable bonds
8
H-bond acceptors
6
H-bond donors
5
Molar refractivity
137.83
TPSA
170.71

LogP / Solubility

WLOGP
3.47
MLOGP
3.1
XLogP3
3.47
Consensus LogP
3.35
Log S (ESOL)
-5.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.79
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.25
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P354+P338, and P317

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