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CAS 55677-48-0 BOC-PHE-ALA-OH molecular structure lightbox
CAS RN: 55677-48-0

BOC-PHE-ALA-OH

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260205 100mg / 250mg / 1g / 5g / 10g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: SSC-163592
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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 55677-48-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

55677-48-0 / (2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]propanoic acid

Standard CAS: 55677-48-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
55677-48-0
Multi CAS
Yes
Molecular Formula
C17H24N2O5
Molecular Weight
336.400000
Exact Mass
336.168522
InChI
InChI=1S/C17H24N2O5/c1-11(15(21)22)18-14(20)13(10-12-8-6-5-7-9-12)19-16(23)24-17(2,3)4/h5-9,11,13H,10H2,1-4H3,(H,18,20)(H,19,23)(H,21,22)/t11-,13-/m0/s1
InChIKey
LDHNMIZCPRNASW-AAEUAGOBSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
3
Molar refractivity
88.54
TPSA
104.73

LogP / Solubility

WLOGP
1.71
MLOGP
1.52
XLogP3
1.9
Consensus LogP
1.71
Log S (ESOL)
-2.79
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.55
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.99
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5

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