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CAS 107076-70-0 Fmoc-β-Ala-Aib-OH molecular structure lightbox
CAS RN: 107076-70-0

Fmoc-β-Ala-Aib-OH

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250828 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-008514
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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 107076-70-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry

107076-70-0 / 2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]-2-methylpropanoic acid

Fmoc-Ala-Aib-OH | EN300-1485709 | 2-[(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanamido]-2-methylpropanoic acid

Standard CAS: 107076-70-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
107076-70-0
Multi CAS
No
Molecular Formula
C22H24N2O5
Molecular Weight
396.400000
Exact Mass
396.168522
SMILES
C[C@@H](C(=O)NC(C)(C)C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C22H24N2O5/c1-13(19(25)24-22(2,3)20(26)27)23-21(28)29-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,13,18H,12H2,1-3H3,(H,23,28)(H,24,25)(H,26,27)/t13-/m0/s1
InChIKey
UITSIHGGNQOGLO-ZDUSSCGKSA-N
Synonyms
Fmoc-Ala-Aib-OH EN300-1485709 2-[(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanamido]-2-methylpropanoic acid SCHEMBL32669193 2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]-2-methyl-propanoic Acid

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
3
Molar refractivity
107.52
TPSA
104.73

LogP / Solubility

WLOGP
2.89
MLOGP
2.57
XLogP3
3
Consensus LogP
2.82
Log S (ESOL)
-4.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.9
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.36
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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