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CAS 332062-06-3 Boc-(R)-3-Amino-4,4-Diphenylbutyric Acid molecular structure lightbox
CAS RN: 332062-06-3

Boc-(R)-3-Amino-4,4-Diphenylbutyric Acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260531 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-139164
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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 332062-06-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

332062-06-3 / (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4,4-diphenylbutanoic acid

Standard CAS: 332062-06-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
332062-06-3
Multi CAS
Yes
Molecular Formula
C21H25NO4
Molecular Weight
355.400000
Exact Mass
355.178358
InChI
InChI=1S/C21H25NO4/c1-21(2,3)26-20(25)22-17(14-18(23)24)19(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,17,19H,14H2,1-3H3,(H,22,25)(H,23,24)/t17-/m1/s1
InChIKey
YLGVWWIOFMUJSK-QGZVFWFLSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
100.14
TPSA
75.63

LogP / Solubility

WLOGP
4.19
MLOGP
3.7
XLogP3
3.9
Consensus LogP
3.93
Log S (ESOL)
-4.63
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.17
Class (SILICOS-IT)
Insoluble

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)
-1.92

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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