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CAS 66617-58-1 BOC-PHE-OBZL molecular structure lightbox
CAS RN: 66617-58-1

BOC-PHE-OBZL

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250806 25g In stock Shanghai Inquiry
  • Product code: SSC-176294
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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: 25g
  • 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 66617-58-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Beijing Inquiry

66617-58-1 / benzyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate

Standard CAS: 66617-58-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
66617-58-1
Multi CAS
Yes
Molecular Formula
C21H25NO4
Molecular Weight
355.400000
Exact Mass
355.178358
InChI
InChI=1S/C21H25NO4/c1-21(2,3)26-20(24)22-18(14-16-10-6-4-7-11-16)19(23)25-15-17-12-8-5-9-13-17/h4-13,18H,14-15H2,1-3H3,(H,22,24)/t18-/m0/s1
InChIKey
MBGXOZTZHRIZRO-SFHVURJKSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
99.54
TPSA
64.63

LogP / Solubility

WLOGP
3.87
MLOGP
3.42
XLogP3
4.3
Consensus LogP
3.86
Log S (ESOL)
-4.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.9
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.14

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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