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CAS 39621-73-3 L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]glycylglycyl- molecular structure lightbox
CAS RN: 39621-73-3

L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]glycylglycyl-

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251021 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-147326
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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: 0.1g, 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 39621-73-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

39621-73-3 / 2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetyl]amino]-3-phenylpropanoic acid

Standard CAS: 39621-73-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
39621-73-3
Multi CAS
Yes
Molecular Formula
C18H25N3O6
Molecular Weight
379.400000
Exact Mass
379.174336
InChI
InChI=1S/C18H25N3O6/c1-18(2,3)27-17(26)20-10-14(22)19-11-15(23)21-13(16(24)25)9-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,19,22)(H,20,26)(H,21,23)(H,24,25)/t13-/m0/s1
InChIKey
ZNKXERAHRITSBL-ZDUSSCGKSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
4
Molar refractivity
96.96
TPSA
133.83

LogP / Solubility

WLOGP
0.44
MLOGP
0.41
XLogP3
1.1
Consensus LogP
0.65
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.45
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.72

Drug-likeness / Medicinal Chemistry

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

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