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CAS 26250-86-2 (S)-3-(((Benzyloxy)carbonyl)amino)-4-phenylbutanoic acid molecular structure lightbox
CAS RN: 26250-86-2

(S)-3-(((Benzyloxy)carbonyl)amino)-4-phenylbutanoic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260207 1g / 5g / 25g Out of stock 8-10 business days Inquiry
  • Product code: SSC-123552
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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: 10g
  • 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 26250-86-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Shenzhen Inquiry

26250-86-2 / (3S)-4-phenyl-3-(phenylmethoxycarbonylamino)butanoic acid

Standard CAS: 26250-86-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
26250-86-2
Multi CAS
Yes
Molecular Formula
C18H19NO4
Molecular Weight
313.300000
Exact Mass
313.131408
InChI
InChI=1S/C18H19NO4/c20-17(21)12-16(11-14-7-3-1-4-8-14)19-18(22)23-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,19,22)(H,20,21)/t16-/m0/s1
InChIKey
WUIQVOMIYLNNEC-INIZCTEOSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.22
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
2
Molar refractivity
85.95
TPSA
75.63

LogP / Solubility

WLOGP
3
MLOGP
2.65
XLogP3
3
Consensus LogP
2.88
Log S (ESOL)
-3.6
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.29
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.03
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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